Startseite UR
Artmann, Kevin, Li, Ru‐Jin, Juber, Selina, Benchimol, Elie, Schäfer, Lars V., Clever, Guido H. und Nuernberger, Patrick
(2022)
Steuerung der ultraschnellen Öffnungs‐ und Schließungsdynamik eines photochromen Koordinationskäfigs durch Gastmoleküle.
Angewandte Chemie 134 (49), e202212112.
(2022)
Why Does Ethaline Apparently Behave as an Ideal Binary Mixture?
The Journal of Physical Chemistry Letters 13 (46), S. 10805-10809.
Volltext nicht vorhanden.
und Buchner, Richard
(2020)
Dielectric relaxation of deep eutectic solvent + water mixtures: structural implications and application to microwave heating.
Physical Chemistry Chemical Physics 22 (36), S. 20466-20476.
Volltext nicht vorhanden.
(2019)
Densities, Viscosities, and Electrical Conductivities of Pure Anhydrous Reline and Its Mixtures with Water in the Temperature Range (293.15 to 338.15) K.
Journal of Chemical & Engineering Data 64 (11), S. 4763-4774.
Volltext nicht vorhanden.
, Seki, Shiro, Ueno, Kazuhide, Dokko, Kaoru
, Watanabe, Masayoshi, Kameda, Yasuo, Buchner, Richard
und Umebayashi, Yasuhiro
(2019)
Dynamic Chelate Effect on the Li+-Ion Conduction in Solvate Ionic Liquids.
The Journal of Physical Chemistry C 123 (50), S. 30228-30233.
Volltext nicht vorhanden.
und Jungwirth, Pavel
(2016)
Guanidinium Pairing Facilitates Membrane Translocation.
The Journal of Physical Chemistry B 120 (1), S. 143-153.
Volltext nicht vorhanden.
, Bennetzen, M. V., Klamt, A.
und Stipp, S. L. S
(2014)
First-Principles Prediction of Liquid/Liquid Interfacial Tension.
Journal of Chemical Theory and Computation 10 (8), S. 3401-3408.
Volltext nicht vorhanden.
Abd ur Rahman, Hafiz Muhammad
(2012)
Dielectric spectroscopy of the hydration of organic anions as models for anionic residues of biomolecules.
Dissertation, Universität Regensburg.
(2012)
Rational Coformer or Solvent Selection for Pharmaceutical Cocrystallization or Desolvation.
Journal of Pharmaceutical Sciences 101 (10), S. 3687-3697.
Volltext nicht vorhanden.
, Barthel, Josef und Neueder, Roland
(2006)
An Analysis of Electrical Conductances of Aqueous Solutions of Polybasic Organic Acids. Benzenehexacarboxylic (Mellitic) Acid and Its Neutral and Acidic Salts.
The Journal of Physical Chemistry B 110 (17), S. 8893-8906.
Volltext nicht vorhanden.
, Ruszczak, Z., Mehrl, R. und Müller, Rainer
(2004)
Influence of different collagen species on physico-chemical properties of crosslinked collagen matrices.
Biomaterials 25 (14), S. 2831-2841.
Volltext nicht vorhanden.
Abke, Jochen
(2003)
Verbesserung der Biokompatibilität metallischer Implantate durch kovalente Anbindung einer quervernetzten Kollagenschicht.
Dissertation, Universität Regensburg.
(2003)
Performance of higher order Monte Carlo wave packet methods for surface science problems: A test for photoinduced desorption.
Chemical Physics Letters 367 (3-4), S. 455-462.
Volltext nicht vorhanden.
(2001)
Vibrational relaxation rates for H on a Si(100):(2×1) surface: a two-dimensional model.
Chemical Physics Letters 350 (3-4), S. 191-197.
Volltext nicht vorhanden.
, Lupton, John M. und Kunz, Werner
(2023)
Microemulsion and microsuspension polymerization of methyl methacrylate in surfactant-free microemulsions (SFME).
Journal of Colloid and Interface Science 648, S. 755-767.
Zugang zum Volltext eingeschränkt.
Brandl, Fabian, Bergwinkl, Sebastian, Allacher, Carina und Dick, Bernhard
(2020)
Consecutive photoinduced electron transfer (conPET): The mechanism of the photocatalyst rhodamine-6G.
Chemistry - A European Journal 26, S. 7946-7954.
(2020)
Optimising the biodiesel production process: Implementation of glycerol derivatives into biofuel formulations and their potential to form hydrofuels.
Fuel 264, S. 116695.
Volltext nicht vorhanden.
, Wachter, Wolfgang und Hefter, Glenn
(2019)
Systematic Variations of Ion Hydration in Aqueous Alkali Metal Fluoride Solutions.
The Journal of Physical Chemistry B 123 (50), S. 10868-10876.
Volltext nicht vorhanden.
(2018)
New completely renewable biofuels: formulations and engine tests on an unmodified up-to-date diesel engine.
Green Chemistry 20 (14), S. 3308-3317.
Volltext nicht vorhanden.
, Touraud, Didier, Prkić, Ante
und Giljanović, Josipa
(2016)
The Nanostructure Studies of Surfactant-Free-Microemulsions in Fragrance Tinctures.
Acta Chimica Slovenica 63 (1), S. 138-143.
Volltext nicht vorhanden.
, Zemb, Thomas, Touraud, Didier und Kunz, Werner
(2015)
Weak Micelle-Like Aggregation in Ternary Liquid Mixtures as Revealed by Conductivity, Surface Tension, and Light Scattering.
Journal of Physical Chemistry B 119 (30), S. 9933-9939.
Volltext nicht vorhanden.
, Endo, Satoshi
, Pohler, Larissa, Huniar, Uwe, Goss, Kai-Uwe und Klamt, Andreas
(2014)
Prediction of Phospholipid–Water Partition Coefficients of Ionic Organic Chemicals Using the Mechanistic Model COSMOmic.
The Journal of Physical Chemistry B 118 (51), S. 14833-14842.
Volltext nicht vorhanden.
, Kremer, Werner und Kalbitzer, Hans Robert
(2014)
Relationship between Nonlinear Pressure-Induced Chemical Shift Changes and Thermodynamic Parameters.
The Journal of Physical Chemistry B 118 (21), S. 5681-5690.
Volltext nicht vorhanden.
, Salamanca, Yina P.
, Blanco, Luis H. und Vargas, Edgar F.
(2012)
Electrical Conductivity Studies of Tetraalkylammonium Bromides in Aqueous Solutions at Several Temperatures.
Journal of Chemical & Engineering Data 57 (8), S. 2203-2010.
Volltext nicht vorhanden.
(2012)
Hydration and Sodium-ion Binding of Trifluoroacetate in Aqueous Solution.
Journal of Molecular Liquids : J. Mol. Liq. 176, S. 93-100.
Volltext nicht vorhanden.
, Bellissent-Funel, Marie-Claire, Krienke, Hartmut, Kopf, Andreas und Suh, Soong-Hyuck
(2010)
Hydrogen bonded network properties in liquid formamide.
The Journal of Chemical Physics 132 (1).
Volltext nicht vorhanden.
, Lima, E. R. A., Biscaia, E. C., Tavares, F. W., Nostro, P. Lo
, Parsons, D. F.
, Deniz, V. und Ninham, B. W.
(2009)
Anion-Specific Partitioning in Two-Phase Finite Volume Systems: Possible Implications for Mechanisms of Ion Pumps.
The Journal of Physical Chemistry B 113 (23), S. 8124-8127.
Volltext nicht vorhanden.
, Rosentritt, Martin, Reischl, Udo, Handel, Gerhard und Hahnel, Sebastian
(2009)
Effects of aging on surface properties and adhesion of Streptococcus mutans on various fissure sealants.
Clinical Oral Investigations 13 (4), S. 419-426.
Volltext nicht vorhanden.
, Rosentritt, Martin, Handel, Gerhard und Behr, Michael
(2009)
Streptococcal adhesion to various luting systems and the role of mixing errors.
Acta Odontologica Scandinavica 67 (3), S. 139-145.
Volltext nicht vorhanden.
Baeurle, Stephan Alexander
(2008)
Molekulardynamik im erweiterten Phasenraum.
Diplomarbeit, Universität Regensburg.
und Yersin, Hartmut
(2008)
Matrix influence on the OLED emitter Ir(btp)₂(acac) in polymetric host materials - Studies by persistent spectral hole burning.
Organic Electronics 9 (5), S. 641-648.
Volltext nicht vorhanden.
, Lima, E. R. A., Tavares, F. W. und Ninham, B. W.
(2008)
The influence of ion binding and ion specific potentials on the double layer pressure between charged bilayers at low salt concentrations.
The Journal of Chemical Physics 128 (13).
Volltext nicht vorhanden.
und Ninham, B.W.
(2005)
Energy of an ion crossing a low dielectric membrane: the role of dispersion self-free energy.
Biophysical Chemistry 114 (2-3), S. 95-101.
Volltext nicht vorhanden.
und Ninham, B. W.
(2004)
Contributions from Dispersion and Born Self-Free Energies to the Solvation Energies of Salt Solutions.
The Journal of Physical Chemistry B 108 (33), S. 12593-12595.
Volltext nicht vorhanden.
und Ninham, B. W.
(2004)
Dispersion Self-Free Energies and Interaction Free Energies of Finite-Sized Ions in Salt Solutions.
Langmuir 20 (18), S. 7569-7574.
Volltext nicht vorhanden.
, Williams, D. R. M. und Ninham, B. W.
(2004)
Specific ion effects: Role of salt and buffer in protonation of cytochrome c.
The European Physical Journal E 13 (3), S. 239-245.
Volltext nicht vorhanden.
, Williams, D.R.M. und Ninham, B.W.
(2004)
Why the properties of proteins in salt solutions follow a Hofmeister series.
Current Opinion in Colloid & Interface Science 9 (1-2), S. 48-52.
Volltext nicht vorhanden.
, Barthel, J., Neueder, R. und Apelblat, A.
(2002)
Nicht ausgewählt
Journal of Solution Chemistry 31 (1), S. 1-18.
Volltext nicht vorhanden.
, Neueder, R. und Barthel, J.
(2000)
Nicht ausgewählt
Journal of Solution Chemistry 29 (1), S. 51-61.
Volltext nicht vorhanden.
Chemat, Aziadé, Touraud, Didier, Müller, Rainer
, Kunz, Werner
und Fabiano-Tixier, Anne-Sylvie
(2024)
Valorization of Coffee Silverskin Using Extraction Cycles and Water as a Solvent: Design of Process.
Molecules 29 (6), S. 1318.
, Sukhanov, Andrey A.
, Taddei, Maria, Dick, Bernhard
, Zhao, Jianzhang, Voronkova, Violeta K. und Di Donato, Mariangela
(2022)
Charge Separation/Recombination, Intersystem Crossing, and Unusually Slow Intramolecular Triplet–Triplet Energy Transfer in Naphthalenediimide–Anthracene Compact Energy Donor–Acceptor Dyads.
The Journal of Physical Chemistry Letters 13 (37), S. 8740-8748.
Volltext nicht vorhanden.
, He, Yi, Hu, Xing-Biao, Sun, Jian-Qing und Weniger, Ernst Joachim
(2020)
Construction of new generalizations of Wynn’s epsilon and rho algorithm by solving finite difference equations in the transformation order.
Numerical Algorithms 83 (2), S. 593-627.
Volltext nicht vorhanden.
, Dias, Luís G.
, El Seoud, Omar A., Horinek, Dominik
, Chaimovich, Hernan
und Cuccovia, Iolanda M.
(2015)
Molecular Dynamics Simulations of the Initial-State Predict Product Distributions of Dediazoniation of Aryldiazonium in Binary Solvents.
The Journal of Organic Chemistry 80 (17), S. 8637-8642.
Volltext nicht vorhanden.
, Preiss, Ulrich, Jungnickel, Christian
, Stolte, Stefan
, Arning, Jürgen, Ranke, Johannes
, Klamt, Andreas
, Krossing, Ingo
und Thöming, Jorg
(2011)
Ionic Liquids: Predictions of Physicochemical Properties with Experimental and/or DFT-Calculated LFER Parameters To Understand Molecular Interactions in Solution.
The Journal of Physical Chemistry B 115 (19), S. 6040-6050.
Volltext nicht vorhanden.
, Holloway, Stephen, Brenig, Wilhelm, Andrianov, Ivan, Klamroth, Tillmann und Saalfrank, Peter
(2002)
Theory of electron stimulated desorption and dissociation of CO at transition metals.
The Journal of Chemical Physics 117 (9), S. 4489-4498.
Volltext nicht vorhanden.
Dullinger, Philipp
(2025)
Computer Simulations of Ion- and Solvent Effects.
Dissertation, Universität Regensburg.
, Prasser, Quirin, Zemb, Thomas und Kunz, Werner
(2023)
The effect of ethanol on fibrillar hydrogels formed by glycyrrhizic acid monoammonium salt.
Journal of Colloid and Interface Science 630PartB, S. 762-775.
Volltext nicht vorhanden.
David, David
(2020)
Development of local Coupled Cluster response methods for high-spin open-shell molecules.
Dissertation, Universität Regensburg.
und Zhao, Jianzhang
(2020)
Twisted Bodipy Derivative as a Heavy-Atom-Free Triplet Photosensitizer Showing Strong Absorption of Yellow Light, Intersystem Crossing, and a High-Energy Long-Lived Triplet State.
Organic Letters 22 (14), S. 5535-5539.
Volltext nicht vorhanden.
(2019)
MELEXIR: maximum entropy Legendre expanded image reconstruction. A fast and efficient method for the analysis of velocity map imaging or photoelectron imaging data.
Physical Chemistry Chemical Physics 21 (35), S. 19499-19512.
Volltext nicht vorhanden.
und Zollfrank, Cordt
(2018)
Cellulose and chitin composite materials from a green solvent.
Carbohydrate Polymers 192, S. 159-165.
Volltext nicht vorhanden.
, Pershin, Anton und Baeurle, Stephan A.
(2015)
Computation of full polymer-based photovoltaic nanodevices using a parametrized field-based multiscale solar-cell approach.
Organic Electronics 22, S. 216-228.
Volltext nicht vorhanden.
, Grillo, Isabelle
, Kunz, Werner
und Zemb, Thomas
(2013)
Octanol-rich and water-rich domains in dynamic equilibrium in the pre-ouzo region of ternary systems containing a hydrotrope.
Journal of Applied Crystallography 46 (6), S. 1665-1669.
Volltext nicht vorhanden.
(2009)
Gradient Projection Method for Constraint Optimization and Relaxed Energy Paths on Conical Intersection Spaces and Potential Energy Surfaces.
Journal of Chemical Theory and Computation 5 (1), S. 116-125.
Volltext nicht vorhanden.
, Wolfbeis, Otto S.
und Mirsky, Vladimir M.
(2007)
Capacitive Detection in Ultrathin Chemosensors Prepared by Molecularly Imprinted Grafting Photopolymerization.
Analytical Chemistry (including News & Features) 79 (8), S. 3220-3225.
Zugang zum Volltext eingeschränkt.
, Marsh, Kenneth und Schäfer, Ansgar
(2007)
Prediction of the vapor pressure and vaporization enthalpy of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids.
Physical Chemistry Chemical Physics 9 (33), S. 4653.
Volltext nicht vorhanden.
und Buchner, Richard
(2015)
Ion Hydration and Association in Aqueous Potassium Phosphate Solutions.
Journal of Physical Chemistry B 119 (16), S. 5270-5281.
Volltext nicht vorhanden.
, Schmalz, Gottfried, Kunz, Werner
und Kellermeier, Matthias
(2014)
Crystallization of mixed alkaline-earth carbonates in alkaline silica solutions.
Crystal Growth & Design 14 (12), S. 6177-6188.
Volltext nicht vorhanden.
Eiblmeier, Josef, Dankesreiter, S., Pfitzner, Arno
, Schmalz, G., Kunz, Werner
und Kellermeier, Matthias
(2014)
Crystallization of mixed alkaline-earth carbonates in alkaline silica solutions at high pH.
Cryst. Growth & Design 14, S. 6177-6188.
(2013)
Effect of bulk pH and supersaturation on the growth behavior of silica biomorphs in alkaline solutions.
CrystEngComm 15 (1), S. 43-53.
Volltext nicht vorhanden.
, Müller, Rainer
und Rupp, F.
(2011)
The impact of dendrimer-grafted modifications to model silicon surfaces on protein adsorption and bacterial adhesion.
Biomaterials 32 (35), S. 9168-9179.
Volltext nicht vorhanden.
(2010)
Towards a first principles prediction of pKa: COSMO-RS and the cluster-continuum approach.
Molecular Physics 108 (3-4), S. 229-241.
Volltext nicht vorhanden.
, Kütt, Agnes, Klamt, Andreas
und Diedenhofen, Michael
(2009)
Prediction of acidity in acetonitrile solution with COSMO‐RS.
Journal of Computational Chemistry 30 (5), S. 799-810.
Volltext nicht vorhanden.
Englert, Carsten
, Blunk, Torsten, Müller, Rainer
, Schulze, S., Baumer, Julia, Fierlbeck, J., Heid, I., Nerlich, Michael und Hammer, J.
(2007)
Bonding of articular cartilage utilising a combination of biochemical degradation and surface cross-linking.
Arthritis Research & Therapy 9 (3), R47.
, Rettig, W., Saalfrank, P.
und Zimmermann, P.
(2001)
Absorption and Fluorescence Excitation Spectra of 9-(N-carbazolyl)-anthracene: Effects of Intramolecular Vibrational Redistribution and Diabatic Transitions Involving Electron Transfer.
The Journal of Physical Chemistry A 105 (12), S. 2911-2924.
Volltext nicht vorhanden.
(2001)
Optimal Algorithm for Single-Molecule Identification with Time-Correlated Single-Photon Counting.
The Journal of Physical Chemistry A 105 (1), S. 48-53.
Volltext nicht vorhanden.
Friesen, Sergej, Kruchinin, Sergey E., Fedotova, Marina V.
und Buchner, Richard
(2024)
Cation-Binding of Glutamate in Aqueous Solution.
The Journal of Physical Chemistry B 128 (23), S. 5746-5755.
Fusina, Adrien
(2024)
Hydrotropic Concepts Applied to the Water-solubilization of Polyphenols : Example of Meglumine, Modeling, Physicochemical Study and Applications.
Dissertation, Universität Regensburg.
(2019)
Cation hydration and ion pairing in aqueous solution of MgCl2 and CaCl2.
Journal of Physical Chemistry B 123 (4), S. 891-900.
Volltext nicht vorhanden.
und Buchner, Richard
(2018)
Hydration and ion association of La3+ and Eu3+ salts in aqueous solution.
Physical Chemistry Chemical Physics 20 (13), S. 8812-8821.
Volltext nicht vorhanden.
, Horinek, Dominik
und Kast, Stefan M.
(2016)
The Chemical Shift Baseline for High-Pressure NMR Spectra of Proteins.
Angewandte Chemie International Edition 55 (30), S. 8757-8760.
Volltext nicht vorhanden.
(2015)
LED-Illuminated NMR Studies of Flavin-Catalyzed Photooxidations Reveal Solvent Control of the Electron-Transfer Mechanism.
Angew. Chem. Int. Ed. 54 (4), S. 1347-1351.
Volltext nicht vorhanden.
, Garcia, Helga, Sousa, Andreia
, Freire, Carmen
, Silvestre, Armando
, Kunz, Werner
, Rebelo, Luis
und Pereira, Christina
(2013)
Microwave Assisted Extraction of betulin from birch outer bark.
RSC Advances 3 (44), S. 21285-21288.
Volltext nicht vorhanden.
, Kalcher, Immanuel, Dzubiella, Joachim, Vrbka, Luboš und Netz, Roland R.
(2010)
Ionic force field optimization based on single-ion and ion-pair solvation properties.
The Journal of Chemical Physics 132 (2).
Volltext nicht vorhanden.
(2004)
Programs for the approximation of real and imaginary single- and multi-valued functions by means of Hermite–Padé-approximants.
Computer Physics Communications 158 (2), S. 124-135.
Volltext nicht vorhanden.
, Baglioni, Piero
und Ninham, Barry W.
(2004)
Specific anion effects on the aggregation properties of anionic nucleolipids.
Current Opinion in Colloid & Interface Science 9 (1-2), S. 168-172.
Volltext nicht vorhanden.
Guðbrandsdóttir, Ragnheiður
(2023)
Structures in LKα14 dissolved in binary mixtures of water and ethanol.
Dissertation, Universität Regensburg.
Graf, Marion, Böttcher, Hans‐Christian, Mayer, Peter, Metzler‐Nolte, Nils
, Thavalingam, Sugina und Czerwieniec, Rafał
(2022)
Cytotoxic Activities of Bis‐cyclometalated Iridium(III) Complexes Containing Chloro‐substituted κ2N‐terpyridines.
Zeitschrift für anorganische und allgemeine Chemie 648 (12).
Glaser, Timo, Meinecke, Jannick, Freund, Lukas, Länger, Christian, Luy, Jan‐Niclas, Tonner, Ralf, Koert, Ulrich und Dürr, Michael
(2021)
Click Chemistry in Ultra‐high Vacuum – Tetrazine Coupling with Methyl Enol Ether Covalently Linked to Si(001).
Chemistry – A European Journal 27 (31), S. 8082-8087.
Glaser, Timo, Meinecke, Jannick, Länger, Christian, Luy, Jan‐Niclas, Tonner, Ralf, Koert, Ulrich und Dürr, Michael
(2021)
Combined XPS and DFT investigation of the adsorption modes of methyl enol ether functionalized cyclooctyne on Si(001).
ChemPhysChem 22 (4), S. 404-409.
Graf, Marion, Böttcher, Hans‐Christian, Metzler‐Nolte, Nils, Sünkel, Karlheinz, Thavalingam, Sugina und Czerwieniec, Rafał
(2021)
Cytotoxic Activities of Bis‐cyclometalated Rhodium(III) and Iridium(III) Complexes Containing 2,2’‐Biphenyldiamine.
Zeitschrift für anorganische und allgemeine Chemie 647 (5), S. 519-524.
Graml, Andreas, Neveselý, Tomáš, Kutta, Roger Jan, Cibulka, Radek
und König, Burkhard
(2020)
Deazaflavin reductive photocatalysis involves excited semiquinone radicals.
Nature Communications 11, S. 3174.
, Xia, Hongyu, Ma, Xiaolin, Chen, Kepeng, Dang, Can, Zhao, Jianzhang
und Dick, Bernhard
(2020)
Efficient Photooxidation of Sulfides with Amidated Alloxazines as Heavy-atom-free Photosensitizers.
ACS Omega 5 (18), S. 10586-10595.
Volltext nicht vorhanden.
, Staehlke, Susanne und Nebe, J. Barbara
(2020)
Enhancement of Intracellular Calcium Ion Mobilization by Moderately but Not Highly Positive Material Surface Charges.
Frontiers in Bioengineering and Biotechnology 8.
Volltext nicht vorhanden.
, Narobe, Rok, Weiß, Sophia, Touraud, Didier, Kunz, Werner
und König, Burkhard
(2020)
Photocatalytic activation of alkyl chlorides by assembly-promoted single electron transfer in microheterogeneous solutions.
Naturecatalysis 3, S. 40-47.
Volltext nicht vorhanden.
, Narobe, Rok, Weiss, Sophia, Touraud, Didier, Kunz, Werner
und König, Burkhard
(2020)
Photocatalytic activation of alkyl chlorides by assembly-promoted single electron transfer in microheterogenous solutions.
Nature Catalysis 3 (1), S. 40-47.
Volltext nicht vorhanden.
(2019)
Osmotic coefficients and activity coefficients in binary water/5-(hydroxymethyl)furfural and in ternary water/5-(hydroxymethyl)furfural/salt solutions at 298.15 K.
Journal of Chemical Thermodynamics 139, S. 105878.
Volltext nicht vorhanden.
und Sünkel, Karlheinz
(2017)
Bis-cyclometalated rhodium- and iridium-complexes with the 4,4′-dichloro-2,2′-bipyridine ligand. Evaluation of their photophysical properties and biological activity.
Inorganica Chimica Acta 463, S. 36-43.
Volltext nicht vorhanden.
Glaab, Fabian, Rieder, Julian, Klein, Regina, Choquesillo-Lazarte, D.
, Melero-Garcia, Emilio, Garcia-Ruiz, Juan Manuel
, Kunz, Werner
und Kellermeier, Matthias
(2017)
Precipitation and Crystallization Kinetics in Silica Gardens.
ChemPhysChem 18 (4), S. 338-345.
(2017)
Salting-out and salting-in effects of organic compounds.
Journal of Molecular Liquids 236, S. 368-375.
Volltext nicht vorhanden.
, Yersin, Hartmut
und Sundermeyer, Jörg
(2015)
A new class of deep-blue emitting Cu(i) compounds – effects of counter ions on the emission behavior.
Dalton Transactions 44 (46), S. 20045-20055.
Volltext nicht vorhanden.
und Blesch, Armin
(2015)
Cell-seeded alginate hydrogel scaffolds promote directed linear axonal regeneration in the injured rat spinal cord.
Acta Biomaterialia 27, S. 140-150.
Volltext nicht vorhanden.
, Czerwieniec, Rafał
und Sünkel, Karlheinz
(2015)
Cyclometalated Iridium(III) Complexes Containing Semicarbazone Ligands: Synthesis, Characterization, Photophysical and Biological Studies.
Zeitschrift für anorganische und allgemeine Chemie 641 (10), S. 1798-1802.
Volltext nicht vorhanden.
, Czerwieniec, Rafał
und Sünkel, Karlheinz
(2014)
Photophysical and biological characterization of new cationic cyclometalated M(III) complexes of rhodium and iridium.
Journal of Organometallic Chemistry 765, S. 46-52.
Volltext nicht vorhanden.
und Böttcher, Hans-Christian
(2013)
Luminescent diiridium(III) complex with a bridging biuretato ligand in unprecedented N,N′:O,O′ coordination.
Journal of Organometallic Chemistry 745-746, S. 341-346.
Volltext nicht vorhanden.
(2007)
Chiral polymer helices with shape identical to previously reported helical calcium carbonate morphologies.
Macromolecular Rapid Communications 28 (9), S. 1024-1028.
Volltext nicht vorhanden.
(2023)
Sustainable cascade reaction combining transition metal-biocatalysis and hydrophobic substrates in surfactant-free aqueous solutions.
Chemical Engineering Journal 472, S. 144599.
Volltext nicht vorhanden.
, Srivastava, Hari M.
, Masjed‐Jamei, Mohammad und Moalemi, Zahra
(2021)
Some weighted quadrature methods based upon the mean value theorems.
Mathematical Methods in the Applied Sciences 44 (5), S. 3840-3856.
Volltext nicht vorhanden.
und Gottfried, J. Michael
(2020)
Influence of Ring Contraction on the Electronic Structure of Nickel Tetrapyrrole Complexes: Corrole vs Porphyrin.
ECS Journal of Solid State Science and Technology 9 (6), 061005.
Volltext nicht vorhanden.
Hofmann, Matthias Josef
(2019)
Studies of Ionic Surfactant Systems Using Surface Rheology With a Focus on the Oscillating Bubble Technique.
Dissertation, Universität Regensburg.
, Abbott, Andrew P., Warr, Gregory und Atkin, Rob
(2019)
Potential dependence of surfactant adsorption at graphite electrode/deep eutectic solvent interface.
Journal of Physical Chemistry Letters 10 (18), S. 5331-5337.
Volltext nicht vorhanden.
und Motschmann, Hubert
(2019)
The influence of lanthanide-(III)-nitrates on adsorbed monolayers of dodecylphosphorylcholine at the air-water interface.
Journal of Colloid and Interface Science 548, S. 217-223.
Volltext nicht vorhanden.
(2018)
Some aspects of green solvents.
Comptes Rendus Chimie 21 (6), S. 572-580.
Volltext nicht vorhanden.
und Buchner, Richard
(2017)
Density, viscosity, and conductivity of choline chloride + ethylene glycol as a deep eutectic solvent and its binary mixtures with dimethyl sulfoxide.
Journal of Molecular Liquids 225, S. 689-695.
Volltext nicht vorhanden.
, Winter, Roland
, Marx, Dominik, Horinek, Dominik
und Kast, Stefan M.
(2016)
Design principles for high–pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures.
The Journal of Chemical Physics 144 (14), S. 144104.
Volltext nicht vorhanden.
Hartl, Robert, Fleischmann, Matthias, Gschwind, Ruth Maria
, Winter, M. und Gores, H. J.
(2013)
A Liquid Inorganic Electrolyte Showing an Unusually High Lithium Ion Transference Number: A Concentrated Solution of LiAlCl4 in Sulfur Dioxide.
Energies 6 (9), S. 4448-4464.
Hofbeck, Thomas
(2013)
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Evaluation of Nitric Oxide Regarding the Functionality of the Gas Exchanger of an Extracorporeal Lung Support Device.
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Investigation of Potential Applications of Surfactant-free Microemulsions – Solubilisation, Separation and Extraction Processes and Reaction Media.
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Design of functionalized b-ketoenole derivatives as efficient fluorescent dyes for detection of amyloid fibrils.
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Enzyme activity of horse radish peroxidase in surfactant-free microemulsions.
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Extraction and stabilization of natural rubber latex from Taraxacum kok-saghyz and from Hevea brasiliensis using ethanolamine as replacement for ammonia and potassium hydroxide.
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Study of structural changes of water confined in Brij-30 reverse micelles: Revealing influence of ionic additives.
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β-ketoenole dyes: Synthesis and study as fluorescent sensors for protein amyloid aggregates.
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A Comprehensive Comparison of the IEFPCM and SS(V)PE Continuum Solvation Methods with the COSMO Approach.
Journal of Chemical Theory and Computation 11 (9), S. 4220-4225.
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Calculation of Solvation Free Energies with DCOSMO-RS.
The Journal of Physical Chemistry A 119 (21), S. 5439-5445.
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Synthesis and (spectro)electrochemistry of mixed-valent diferrocenyl–dihydrothiopyran derivatives.
Dalton Transactions 44 (13), S. 6268-6276.
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Comment on “An Improvement to COSMO-SAC for Predicting Thermodynamic Properties”.
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Quasi-epitaxial Growth of [Ru(bpy)3]2+by Confinement in Clay Nanoplatelets Yields Polarized Emission.
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Synthesis, Structure, and Spectroelectrochemistry of Ferrocenyl–Meldrum’s Acid Donor–Acceptor Systems.
Organometallics 33 (18), S. 4697-4705.
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Choline alkylsulfates - New promising green surfactants.
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Interpretation of experimental hydrogen-bond enthalpies and entropies from COSMO polarisation charge densities.
Physical Chemistry Chemical Physics 15, S. 7147-7154.
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COSMOsar3D: Molecular Field Analysis Based on Local COSMO σ-Profiles.
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Comment on “Comparison of the a Priori COSMO-RS Models and Group Contribution Methods: Original UNIFAC, Modified UNIFAC(Do), and Modified UNIFAC(Do) Consortium”.
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Evolution and Control of Complex Curved Form in Simple Inorganic Precipitation Systems.
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Local autocatalytic co-precipitation phenomena in self-assembled silica-carbonate materials.
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Klee, Andreas, Prevost, Sylvain
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Magnetic microemulsions based on magnetic ionic liquids.
Physical Chemistry Chemical Physics 14 (44), S. 15355-15360.
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Polarization charge densities provide a predictive quantification of hydrogen bond energies.
Physical Chemistry, Chemical Physics (14), S. 955-963.
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Structure and Solubility in Surfactant-Free Microemulsions.
ChemPhysChem 13 (18), S. 4116-4119.
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Klein, Regina
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Choline applied as counterion – a strategy for the design of biocompatible surfactants and green ionic liquids.
Dissertation, Universität Regensburg.
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Oligoether Carboxylates: Task-Specific Room-Temperature Ionic Liquids.
Journal of Physical Chemistry B 115 (29), S. 8961-8969.
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Synthesis, crystal structure and charge transfer spectra of dinuclear copper(I) complexes bearing 1,2-bis(arylimino)acenaphthene acceptor ligands.
Inorganica Chimica Acta 374 (1), S. 632-636.
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Blind prediction test of free energies of hydration with COSMO-RS.
Journal of Computer-Aided Molecular Design 24 (4), S. 357-360.
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Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challenge.
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Comment on “Towards the development of theoretically correct liquid activity coefficient models”.
The Journal of Chemical Thermodynamics 41 (11), S. 1312-1313.
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Prediction of the Free Energy of Hydration of a Challenging Set of Pesticide-Like Compounds.
The Journal of Physical Chemistry B 113 (14), S. 4508-4510.
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COSMOmic: A Mechanistic Approach to the Calculation of Membrane−Water Partition Coefficients and Internal Distributions within Membranes and Micelles.
The Journal of Physical Chemistry B 112 (38), S. 12148-12157.
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Comments on “Performance of COSMO-RS with Sigma Profiles from Different Model Chemistries”.
Industrial & Engineering Chemistry Research 47 (3), S. 987-988.
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Temperature-dependent phosphorescence spectra of Pd- and Pt-porphins and their applications.
Journal of Porphyrins and Phthalocyanines 12 (11), S. 1201-1210.
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Electron transport through molecules treated by LCAO-MO Green’s functions with absorbing boundaries.
Chemical Physics Letters 386 (1-3), S. 17-24.
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Irreversible Photoreduction of Flavin in a Mutated Phot-LOV1 Domain.
Biochemistry 42 (33), S. 9854-9862.
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Open-system density-matrix approach to image-potential dynamics of electrons at Cu(100): Energy- and time-resolved two-photon photoemission spectra.
Physical Review B 64 (3).
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Li, Xinyao, Kutta, Roger J., Jandl, Christian, Bauer, Andreas, Nuernberger, Patrick
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Photochemically Induced Ring Opening of Spirocyclopropyl Oxindoles: Evidence for a Triplet 1,3‐Diradical Intermediate and Deracemization by a Chiral Sensitizer.
Angewandte Chemie International Edition 59 (48), S. 21640-21647.
und Tonner, Ralf
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Complementary Base Lowers the Barrier in SuFEx Click Chemistry for Primary Amine Nucleophiles.
ACS Omega 5 (48), S. 31432-31439.
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(2018)
Cocrystal Ternary Phase Diagrams from Density Functional Theory and Solvation Thermodynamics.
Crystal Growth & Design 18 (9), S. 5600-5608.
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Regulated viral BDNF delivery in combination with Schwann cells promotes axonal regeneration through capillary alginate hydrogels after spinal cord injury.
Acta Biomaterialia 60, S. 167-180.
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Solubility prediction, solvate and cocrystal screening as tools for rational crystal engineering.
Journal of Pharmacy and Pharmacology 67 (6), S. 803-811.
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Molecular Dynamics Shows That Ion Pairing and Counterion Anchoring Control the Properties of Triflate Micelles: A Comparison with Triflate at the Air/Water Interface.
Langmuir 30 (5), S. 1239-1249.
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Prediction of Solubilities and Partition Coefficients in Polymers Using COSMO-RS.
Industrial & Engineering Chemistry Research 53 (28), S. 11478-11487.
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Loibl, Stefan und Schütz, Martin
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NMR shielding tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge including atomic orbitals.
Journal of Chemical Physics 137, 084107.
(2012)
COSMOquick: A Novel Interface for Fast σ-Profile Composition and Its Application to COSMO-RS Solvent Screening Using Multiple Reference Solvents.
Industrial & Engineering Chemistry Research 51 (43), S. 14303-14308.
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(2010)
Ion-specific thermodynamical properties of aqueous proteins.
Anais da Academia Brasileira de Ciências 82 (1), S. 109-126.
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Co-Ion and Ion Competition Effects: Ion Distributions Close to a Hydrophobic Solid Surface in Mixed Electrolyte Solutions.
Langmuir 24 (8), S. 3944-3948.
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(2008)
Specific Ion Binding to Nonpolar Surface Patches of Proteins.
Journal of the American Chemical Society 130 (35), S. 11582-11583.
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, Kottke, Tilman
und Hegemann, Peter
(2004)
Recording of Blue Light-Induced Energy and Volume Changes within the Wild-Type and Mutated Phot-LOV1 Domain from Chlamydomonas reinhardtii.
Biophysical Journal 86 (2), S. 1051-1060.
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Myrdek, Thomas
(2020)
New Catanionics as suitable additives for oily formulations, especially lubricants.
Dissertation, Universität Regensburg.
(2020)
Dimerization of LOV domains of Rhodobacter sphaeroides (RsLOV) studied with FRET and stopped-flow experiments.
Photochemical & Photobiological Sciences 19 (2), S. 159-170.
Volltext nicht vorhanden.
, Chernii, Svitlana, Chernii, Victor, Losytskyy, Mykhaylo, Karakhim, Serhii, Czerwieniec, Rafal, Pekhnyo, Vasyl, Yarmoluk, Sergiy und Kovalska, Vladyslava
(2020)
Fluorescent β-ketoenole AmyGreen dye for visualization of amyloid components of bacterial biofilms.
Methods and Applications in Fluorescence 8 (3), 035006.
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, Nuernberger, Patrick
, Kongsted, Jacob
und Hättig, Christof
(2020)
Relaxation Dynamics of the Triazene Compound Berenil in DNA-Minor-Groove Confinement after Photoexcitation.
Journal of Chemical Theory and Computation 16 (8), S. 5203-5211.
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Moreno Gómez, Nicolás
(2019)
Solvation and Molecular Encapsulation by Ionic Resorcin[4]arenes in Polar Media.
Dissertation, Universität Regensburg.
und Buchner, Richard
(2019)
Hydration and Counterion Binding of an Aminomethylated Resorcin[4]arene.
Journal of Physical Chemistry B 123 (8), S. 1840-1846.
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, Hahn, Maximilian, Gerstl, Florian, Köwer, Thomas, Rink, Simone, Kunz, Werner
, Duerkop, Axel und Bäumner, Antje J.
(2019)
Shedding Light on the Diversity of Surfactant Interactions with Luminol Electrochemiluminescence for Bioanalysis.
Analytical Chemistry 91 (20), S. 13080-13087.
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und Vargas, Edgar F.
(2019)
Temperature effect on the solvation of two ionic resorcin[4]arenes from volumetric and acoustic properties in polar media.
Journal of Molecular Liquids 291, S. 111233.
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, Heilmann, Jörg und Kunz, Werner
(2018)
Oligoether Carboxylate Counterions: An Innovative Way Towards Surfactant Ionic Liquids.
Journal of Molecular Liquids 251, S. 61-69.
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, Buchner, Richard
und Chaimovich, H.
(2018)
Specific Ion Effects on Zwitterionic Micelles Are Independent of Interfacial Hydration Changes.
Langmuir 34 (37), S. 11049-11057.
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und Jungwirth, Pavel
(2017)
Increased Binding of Calcium Ions at Positively Curved Phospholipid Membranes.
The Journal of Physical Chemistry Letters 8 (2), S. 518-523.
Volltext nicht vorhanden.
und Buchner, Richard
(2017)
The effect of alkyl-chain branching on the hydration and ion association of tetrabutylammonium cations.
Journal of Molecular Liquids 248, S. 586-594.
Volltext nicht vorhanden.
und Pfitzner, Arno
(2015)
Halocuprate(i) zigzag chain structures with N-methylated DABCO cations – bright metal-centered luminescence and thermally activated color shifts.
Dalton Transactions 44 (44), S. 19305-19313.
Volltext nicht vorhanden.
und Vargas, Edgar F.
(2015)
Partial molar volume and isentropic compressibility of symmetrical and asymmetrical quaternary ammonium bromides in aqueous solution.
Journal of Chemical Thermodynamics 87, S. 103-109.
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, Maschio, Lorenzo
, Mallia, Giuseppe
, Casassa, Silvia
, Ellis, John, Schütz, Martin und Harrison, Nicholas M.
(2014)
Approaching an exact treatment of electronic correlations at solid surfaces: The binding energy of the lowest bound state of helium adsorbed on MgO(100).
Physical Review B 89 (20).
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, Tarle, Zrinka
, Hiller, Karl Anton, Müller, Rainer
, Ristic, Mira
, Rosentritt, Martin, Skrtic, Drago und Schmalz, Gottfried
(2014)
Effect of silanized nanosilica addition on remineralizing and mechanical properties of experimental composite materials with amorphous calcium phosphate.
Clinical Oral Investigations 18 (3), S. 783-792.
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, Bonn, Mischa
und Hunger, Johannes
(2014)
Hydration of Sodium Alginate in Aqueous Solution.
Macromolecules 47 (2), S. 771-776.
Volltext nicht vorhanden.
(2014)
Nano-droplet formation in water/ethanol or isopropanol/mosquito repellent formulations.
Colloids and Surfaces, A: Physicochemical and Engineering Aspects 458, S. 3-9.
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(2014)
Unified Description of Urea Denaturation: Backbone and Side Chains Contribute Equally in the Transfer Model.
The Journal of Physical Chemistry B 118 (1), S. 107-114.
Volltext nicht vorhanden.
, Sutter, Jörg, Meyer, Karsten
, Hartl, František und Wolf, Robert
(2013)
Synthesis and Electronic Structure of Dissymmetrical, Naphthalene-Bridged Sandwich Complexes [Cp′Fe(μ-C10H8)MCp*]x (x = 0, +1; M = Fe, Ru; Cp′ = η5-C5H2-1,2,4-tBu3; Cp* = η5-C5Me5).
Organometallics 32 (20), S. 6040-6052.
Volltext nicht vorhanden.
, Brady, John W. und Jungwirth, Pavel
(2009)
Specificity of Ion−Protein Interactions: Complementary and Competitive Effects of Tetrapropylammonium, Guanidinium, Sulfate, and Chloride Ions.
The Journal of Physical Chemistry B 113 (10), S. 3227-3234.
Volltext nicht vorhanden.
, Ruhl, Stefan
, Hiller, Karl-Anton, Schmalz, Gottfried und Schweikl, Helmut
(2008)
Adhesion of eukaryotic cells and Staphylococcus aureus to silicon model surfaces.
Journal of Biomedical Materials Research, Part A 84A (3), S. 817-827.
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, Klamt, Andreas
, Eckert, Frank und Marken, Frank
(2008)
Probing carboxylate Gibbs transfer energies via liquid|liquid transfer at triple phase boundary electrodes: ion-transfer voltammetry versus COSMO-RS predictions.
Physical Chemistry Chemical Physics 10 (26), S. 3925.
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und Lindan, Philip J. D.
(2001)
Quantum size effects in metal films: Energies and charge densities of Pb(111) grown on Cu(111).
Physical Review B 63 (23).
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(2017)
Densities, Refractive Indices, Viscosities, and Conductivities of Non-Imidazolium Ionic Liquids [Et3S][TFSI], [Et2MeS][TFSI], [BuPy][TFSI], [N8881][TFA], and [P14][DCA].
Journal of Chemical and Engineering Data 62 (9), S. 2549-2561.
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(2017)
Dielectric relaxation of nitromethane and its mixtures with ethylammonium nitrate: Evidence for strong ion association induced by hydrogen bonding.
Journal of Molecular Liquids 228, S. 81-90.
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und Daub, Jörg
(2007)
Charge Resonance Excitations in 1,3-Bis[di(4-methoxyphenyl)amino]azulene Radical Cations.
The Journal of Physical Chemistry C 111 (8), S. 3512-3516.
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(2004)
Molecular Dynamics Simulation of the LOV2 Domain from Adiantum capillus-veneris.
Journal of Chemical Information and Computer Sciences 44 (5), S. 1788-1793.
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Neiß, Christian
(2003)
Quantenchemische und molekulardynamische Untersuchungen zum Reaktionsmechanismus von Phototropin.
Dissertation, Universität Regensburg.
(2003)
Ab Initio Quantum Chemical Investigation of the First Steps of the Photocycle of Phototropin: A Model Study¶.
Photochemistry and Photobiology 77 (1), S. 101.
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, Parac, Maja und Grimme, Stefan
(2003)
Quantum Chemical Calculation of Excited States of Flavin-Related Molecules.
The Journal of Physical Chemistry A 107 (1), S. 140-147.
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(2002)
Open-system density matrix description of femtosecond laser desorption of electronically and vibrationally relaxing adsorbates: Single- and two-pulse scenarios.
The Journal of Chemical Physics 116 (16), S. 7189-7199.
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(2001)
Dissipation in anharmonic molecular systems: beyond the linear coupling limit.
Chemical Physics 268 (1-3), S. 65-78.
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Pavlovska, Tetiana
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Tuning Deazaflavins Towards Highly Potent Reducing Photocatalysts Guided by Mechanistic Understanding – Enhancement of the Key Step by the Internal Heavy Atom Effect.
Chemistry – A European Journal 28 (46), e202200768.
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Pressure-dependent electronic structure calculations using integral equation-based solvation models.
Biophysical Chemistry 257, S. 106258.
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Molecular Dynamics and Interactions in Aqueous Xylitol Solutions.
Physical Chemistry Chemical Physics 21 (43), S. 24061-24069.
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Molecular factors governing the viscosity peak of giant micelles in the presence of salt and fragrances.
Journal of Colloid and Interface Science 537, S. 682-693.
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Adaptive enhanced sampling with a path-variable for the simulation of protein folding and aggregation.
The Journal of Chemical Physics 147 (21), S. 214902.
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An adaptive bias – hybrid MD/kMC algorithm for protein folding and aggregation.
Physical Chemistry Chemical Physics 19 (26), S. 17373-17382.
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Multi-criteria evaluation of several million working fluids for waste heat recovery by means of Organic Rankine Cycle in passenger cars and heavy-duty trucks.
Applied Energy 206, S. 887-899.
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Presselt, Martin, Dehaen, Wim, Maes, Wouter
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Quantum chemical insights into the dependence of porphyrin basicity on the meso-aryl substituents: thermodynamics, buckling, reaction sites and molecular flexibility.
Phys.Chem.Chem.Phys. 17, S. 14096-14106.
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Brightly Luminescent Pt(II) Pincer Complexes with a Sterically Demanding Carboranyl-Phenylpyridine Ligand: A New Material Class for Diverse Optoelectronic Applications.
Journal of the American Chemical Society 136 (27), S. 9637-9642.
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Performance enhancement of block-copolymer solar cells through tapering the donor–acceptor interface: A multiscale study.
Polymer 55 (6), S. 1507-1513.
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Pentlehner, D. und Slenczka, Alkwin
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Electronic spectroscopy of 9,10-dichloroanthracene inside helium droplets.
The Journal of Chemical Physics 138, 024313.
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Impulsive Laser Induced Alignment of Molecules Dissolved in Helium Nanodroplets.
Physical Review Letters 110 (9).
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Regulatory mechanism of the light‐activable allosteric switch LOV–TAP for the control of DNA binding: A computer simulation study.
Proteins: Structure, Function, and Bioinformatics 81 (3), S. 394-405.
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Signaling pathway of a photoactivable Rac1‐GTPase in the early stages.
Proteins: Structure, Function, and Bioinformatics 80 (5), S. 1350-1362.
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Effect of Surface Pollution on Homogeneous Ice Nucleation: A Molecular Dynamics Study.
The Journal of Physical Chemistry C 114 (17), S. 7831-7838.
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The promotion of oriented axonal regrowth in the injured spinal cord by alginate-based anisotropic capillary hydrogels.
Biomaterials 27 (19), S. 3560-3569.
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Masking of endotoxin in surfactant samples: Effects on Limulus-based detection systems.
Biologicals 44 (5), S. 417-422.
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Dual-fluorescence pH probe for bio-labelling.
Physical Chemistry Chemical Physics 17 (45), S. 30590-30597.
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Effect of choline carboxylate ionic liquids on biological membranes.
Colloids and Surfaces, B: Biointerfaces 123, S. 575-581.
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Prediction of free energies of hydration with COSMO-RS on the SAMPL4 data set.
Journal of Computer-Aided Molecular Design 28 (3), S. 169-173.
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Hydrophilic and Hydrophobic Hydration of Sodium Propanoate and Sodium Butanoate in Aqueous Solution.
Journal of Physical Chemistry B 117 (7), S. 2142-2152.
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Influence of Chain Length and Double Bond on the Aqueous Behavior of Choline Carboxylate Soaps.
Langmuir 29 (8), S. 2506-2519.
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Prediction of free energies of hydration with COSMO-RS on the SAMPL3 data set.
Journal of Computer-Aided Molecular Design 26 (5), S. 669-673.
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Prediction of the temperature dependence of a polyether–water mixture using COSMOtherm.
Fluid Phase Equilibria 310 (1-2), S. 7-10.
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Schmidt, Michael, Huber, Verena, Touraud, Didier
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Aromas: Lovely to Smell and Nice Solvents for Polyphenols? Curcumin Solubilisation Power of Fragrances and Flavours.
Molecules 29 (2), S. 294.
Schlaghaufer, Florian
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Hochauflösende elektronische Spektroskopie großer Moleküle und van-der-Waals-Cluster im Molekularstrahl und deren Beziehung zu Mikrosolvatation in superflüssigen Heliumtröpfchen.
Dissertation, Universität Regensburg.
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Trinuclear Cyclometalated Iridium(III) Complex Exhibiting Intense Phosphorescence of an Unprecedented Rate.
Inorganic Chemistry 63 (2), S. 1317-1327.
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Stemplinger, Simon
(2023)
Theory of Soft Centrifugation of Structured Fluids Based on Hydrotropes.
Dissertation, Universität Regensburg.
Schermer, Franz
(2023)
Lipase-Driven, Room-Temperature Solubilization Processes of Deposited Fat-Based Stains.
Dissertation, Universität Regensburg.
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Aligning π-Extended π-Deficient Ligands to Afford Submicrosecond Phosphorescence Radiative Decay Time of Mononuclear Ir(III) Complexes.
Inorganic Chemistry 62 (2), S. 810-822.
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, Hodgson, Craig
, Gorski, Aleksander, Kowalczyk, Aleksandra
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(2022)
Benzannulation of a ditopic ligand to afford mononuclear and dinuclear Ir(iii) complexes with intense phosphorescence: applications in singlet oxygen generation and bioimaging.
Journal of Materials Chemistry C 10 (5), S. 1870-1877.
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Combined Pulsed Electron Double Resonance EPR and Molecular Dynamics Investigations of Calmodulin Suggest Effects of Crowding Agents on Protein Structures.
Biochemistry 61 (17), S. 1735-1742.
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, Graß, Xaver, Witzmann, Michael, Touraud, Didier, Diat, Olivier, Pfitzner, Arno
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Counterion effect on α-Keggin polyoxometalates in water: The peculiar role of H+ on their salting-in effect and co-assembly with organics.
Journal of Molecular Liquids 359, S. 119214.
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, Kokina, Tatyana E., Vinogradova, Katerina A.
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Near-infrared emitting copper(i) complexes with a pyrazolylpyrimidine ligand: exploring relaxation pathways.
Dalton Transactions 51 (7), S. 2898-2911.
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{2-Phases 2-reactions 1-catalyst} concept for the sustainable performance of coupled reactions.
Green Chemistry 24 (6), S. 2516-2526.
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Shafikov, Marsel Z.
(2021)
Spin-Orbit Coupling and Phosphorescence Rate of Dinuclear Iridium(III) complexes.
Dissertation, Universität Regensburg.
Schinabeck, Alexander
(2021)
Detailed Photophysical Investigations of OLED Relevant Cu(I) Complexes – From Phosphorescence to Thermally Activated Delayed Fluorescence (TADF).
Dissertation, Universität Regensburg.
, Zaytsev, Andrey V.
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Cyclometalation Geometry of the Bridging Ligand as a Tuning Tool for Photophysics of Dinuclear Ir(III) Complexes.
The Journal of Physical Chemistry C 125 (37), S. 20531-20537.
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, Suleymanova, Alfiya F.
, Kutta, Roger J., Brandl, Fabian, Gorski, Aleksander und Czerwieniec, Rafał
(2021)
Dual emissive dinuclear Pt(ii) complexes and application to singlet oxygen generation.
Journal of Materials Chemistry C 9 (17), S. 5808-5818.
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, Pander, Piotr, Zaytsev, Andrey V.
, Daniels, Ruth
, Martinscroft, Ross, Dias, Fernando B.
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und Kozhevnikov, Valery N.
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Extended ligand conjugation and dinuclearity as a route to efficient platinum-based near-infrared (NIR) triplet emitters and solution-processed NIR-OLEDs.
Journal of Materials Chemistry C 9 (1), S. 127-135.
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, Martinscroft, Ross, Hodgson, Craig
, Hayer, Anna, Auch, Armin und Kozhevnikov, Valery N.
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Non-Stereogenic Dinuclear Ir(III) Complex with a Molecular Rack Design to Afford Efficient Thermally Enhanced Red Emission.
Inorganic Chemistry 60 (3), S. 1780-1789.
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, Bittermann, Kai, Huniar, Uwe, Goss, Kai-Uwe und Klamt, Andreas
(2020)
COSMOperm: Mechanistic Prediction of Passive Membrane Permeability for Neutral Compounds and Ions and Its pH Dependence.
The Journal of Physical Chemistry B 124 (16), S. 3343-3354.
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, Zaytsev, Andrey V.
, Suleymanova, Alfiya F., Brandl, Fabian, Kowalczyk, Aleksandra
, Gapińska, Magdalena
, Kowalski, Konrad
, Kozhevnikov, Valery N.
und Czerwieniec, Rafał
(2020)
Near Infrared Phosphorescent Dinuclear Ir(III) Complex Exhibiting Unusually Slow Intersystem Crossing and Dual Emissive Behavior.
The Journal of Physical Chemistry Letters 11 (15), S. 5849-5855.
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, Brandl, Fabian, Dick, Bernhard
und Czerwieniec, Rafał
(2019)
Can Coumarins Break Kasha’s Rule?
The Journal of Physical Chemistry Letters 10 (21), S. 6468-6471.
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, Daniels, Ruth und Kozhevnikov, Valery N.
(2019)
Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design.
The Journal of Physical Chemistry Letters 10 (22), S. 7015-7024.
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Stambolić, Ivan
(2018)
Photosensing in LOV domains: a computational study of signal transduction pathways.
Dissertation, Universität Regensburg.
(2018)
Salt effects in surfactant-free microemulsions.
The Journal of Chemical Physics 148 (22), S. 222818.
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, Suleymanova, Alfiya F.
, Czerwieniec, Rafał
und Yersin, Hartmut
(2017)
Design Strategy for Ag(I)-Based Thermally Activated Delayed Fluorescence Reaching an Efficiency Breakthrough.
Chemistry of Materials 29 (4), S. 1708-1715.
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, Brüggemann, Dieter und Klamt, Andreas
(2017)
High-Throughput Screening of Working Fluids for the Organic Rankine Cycle (ORC) Based on Conductor-like Screening Model for Realistic Solvation (COSMO-RS) and Thermodynamic Process Simulations.
Industrial & Engineering Chemistry Research 56 (3), S. 788-798.
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Skiba, Joanna, Bernas, T., Trzybiński, D.
, Shafikov, Marsel Z. und Czerwieniec, Rafal
(2017)
Mitochondria Targeting with Luminescent Rhenium(I) Complexes.
Molecules 22, S. 809.
, Suleymanova, Alfiya F.
, Czerwieniec, Rafał und Yersin, Hartmut
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Thermally Activated Delayed Fluorescence from Ag(I) Complexes: A Route to 100% Quantum Yield at Unprecedentedly Short Decay Time.
Inorganic Chemistry 56 (21), S. 13274-13285.
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Simbeck, Tobias
(2016)
Korrosionsschutz von Kupfer durch Adsorption monomerer und polymerer Azolmoleküle -Von energetischen zu kinetischen Studien-.
Dissertation, Universität Regensburg.
, Kozhevnikov, Dmitry N., Bodensteiner, Michael, Brandl, Fabian und Czerwieniec, Rafał
(2016)
Modulation of Intersystem Crossing Rate by Minor Ligand Modifications in Cyclometalated Platinum(II) Complexes.
Inorganic Chemistry 55 (15), S. 7457-7466.
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(2015)
Consistent definitions of "the interface" in surfactant-free micellar aggregates.
Colloids and Surfaces A: Physicochemical and Engineering Aspects 480, S. 222-227.
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, Civalleri, Bartolomeo
, Usvyat, Denis
, Toulouse, Julien
, Sharkas, Kamal und Maschio, Lorenzo
(2015)
Range-separated double-hybrid density-functional theory applied to periodic systems.
The Journal of Chemical Physics 143 (10).
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, Ortner, A., Waselikowski, S., Walther, M., Wynne, K.
und Buchner, Richard
(2015)
Ultra-Broadband Dielectric and Optical Kerr-Effect Study of the Ionic Liquids Ethyl and Propylammonium Nitrate.
The Journal of Physical Chemistry B 119 (29), S. 8826-8841.
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, Müller, Rainer
und Schmalz, Gottfried
(2014)
Salivary protein adsorption and Streptococccus gordonii adhesion to dental material surfaces.
Dental Materials 29 (10), S. 1080-1089.
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und Netz, Roland R.
(2013)
Anionic and Cationic Hofmeister Effects on Hydrophobic and Hydrophilic Surfaces.
Langmuir 29 (8), S. 2602-2614.
Volltext nicht vorhanden.
Sonnleitner, Thomas, Nikitina, Viktoriya
, Nazet, Andreas und Buchner, Richard
(2013)
Do H-Bonds Explain Strong Ion Aggregation in Ethylammonium Nitrate + Acetonitrile Mixtures?
Physical Chemistry Chemical Physics 15 (42), S. 18445-18452.
Stage, Christiane
(2012)
Summenfrequenz-Spektroskopie: Untersuchungen zu ionenspezifischen Effekten und Entwicklung eines ortsauflösenden
, Liese, Susanne, Pirzer, Tobias
, Balzer, Bizan N., Hugel, Thorsten
und Netz, Roland R.
(2012)
On the Relationship between Peptide Adsorption Resistance and Surface Contact Angle: A Combined Experimental and Simulation Single-Molecule Study.
Journal of the American Chemical Society 134 (48), S. 19628-19638.
Volltext nicht vorhanden.
(2011)
High‐Resolution Electronic Spectroscopy of the BODIPY Chromophore in Supersonic Beam and Superfluid Helium Droplets.
ChemPhysChem 12 (10), S. 1969-1980.
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(2008)
Observation of the distorted form of Pd-porphin in single site spectra at low temperatures.
Journal of Luminescence 128 (3), S. 531-536.
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(2007)
Fast Multichannel Precision Thermometer.
IEEE Transactions on Instrumentation and Measurement 56 (5), S. 2002-2009.
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und Reiser, Oliver
(2005)
Helical Chirality in Pentacoordinate Zinc Complexes - Selective Access to Both Pseudoenantiomers with One Ligand Configuration.
Angewandte Chemie International Edition 44 (2), S. 242-245.
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Straßer, Andreas
(2004)
Photophysik und Photochemie von Tetraphenylporphyrinkomplexen des Zirconiums und des Hafniums.
Dissertation, Universität Regensburg.
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(2000)
Molecular calculations with B functions.
International Journal of Quantum Chemistry 76 (2), S. 244.
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Guanidinium Cation Effect on the Water Activity of Ternary (S)Aminopentanedioic Acid Sodium Salt Solutions at 298.15 and 310.15 K.
Journal of Chemical & Engineering Data 64 (3), S. 1256-1264.
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(2018)
Thermodynamic Properties of L-Aspartates of Alkali and Alkali-Earth Metals in Aqueous Solutions at 298.15 and 310.15 K and Specific Cation Effects on Biomolecule Solvation.
Journal of Solution Chemistry 47 (4), S. 727-748.
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, Kunz, Werner
und Rodríguez-Abreu, Carlos
(2014)
Editorial.
Colloids and Surfaces A: Physicochemical and Engineering Aspects 458, S. 1-2.
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COSMOsim3D: 3D-Similarity and Alignment Based on COSMO Polarization Charge Densities.
Journal of Chemical Information and Modeling 52 (8), S. 2149-2156.
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, Bešter-Rogač, M.
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(2002)
Nicht ausgewählt
Journal of Solution Chemistry 31 (1), S. 19-31.
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Ulmann, Nadja
(2025)
Solubilization and stabilization of natural molecules in green and edible formulations.
Dissertation, Universität Regensburg.
(2023)
Investigation of the salting-in/-out, hydrotropic and surface-active behavior of plant-based hormone and phenolic acid salts.
Journal of Colloid and Interface Science 641, S. 631-642.
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(2015)
High precision quantum-chemical treatment of adsorption: Benchmarking physisorption of molecular hydrogen on graphane.
The Journal of Chemical Physics 143 (10).
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, Maschio, Lorenzo
und Schütz, Martin
(2015)
Periodic local MP2 method employing orbital specific virtuals.
The Journal of Chemical Physics 143 (10).
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, Manzetti, Sergio
, Zhang, Haiyang
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(2019)
Prediction of Partition Coefficients of Environmental Toxins Using Computational Chemistry Methods.
ACS Omega 4 (9), S. 13772-13781.
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, Touraud, Didier und Kunz, Werner
(2009)
Anion specificity influencing morphology in catanionic surfactant mixtures with an excess of cationic surfactant.
Comptes Rendus Chimie 12 (1-2), S. 30-37.
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, Verbavatz, J. M., Touraud, Didier und Kunz, Werner
(2008)
Role of the surfactant headgroup on the counterion specificity in the micelle-to-vesicle transition through salt addition.
Journal of Colloid and Interface Science 319 (2), S. 542-548.
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, Kunz, Werner
und Ninham, Barry W.
(2007)
Mineralization of CaCO3 in the Presence of Egg White Lysozymeysteine.
Langmuir 23 (24), S. 12269-12274.
Volltext nicht vorhanden.
Voinescu, Alina E., Touraud, Didier, Lecker, Alois, Pfitzner, Arno
, Ninham, Barry W.
und Kunz, Werner
(2007)
Mineralization of CaCO₃ in the presence of egg white lysozyme.
Langmuir (23(24)), S. 12269-12274.
Wortmann, Svenja
(2025)
Ultrafast Spectroscopy of Photochemical Processes in Specific Solvent Environments.
Dissertation, Universität Regensburg.
, Arai, Nana
, Kameda, Yasuo, Buchner, Richard
und Umebayashi, Yasuhiro
(2020)
Effect of Brønsted Acidity on Ion Conduction in Fluorinated Acetic Acid and N-Methylimidazole Equimolar Mixtures as Pseudo-protic Ionic Liquids.
The Journal of Physical Chemistry B 124 (49), S. 11157-11164.
Volltext nicht vorhanden.
, Ivanov, Mikhail
, Gao, Yuting, Bussotti, Laura, Foggi, Paolo, Zhang, Huimin, Russo, Nino, Dick, Bernhard
, Zhao, Jianzhang
, Di Donato, Mariangela
, Mazzone, Gloria
, Luo, Liang
und Fedin, Matvey
(2020)
Spin–Orbit Charge‐Transfer Intersystem Crossing (ISC) in Compact Electron Donor–Acceptor Dyads: ISC Mechanism and Application as Novel and Potent Photodynamic Therapy Reagents.
Chemistry – A European Journal 26 (5), S. 1091-1102.
Volltext nicht vorhanden.
, Korona, Tatiana
und Schütz, Martin
(2016)
A hierarchy of local coupled cluster singles and doubles response methods for ionization potentials.
The Journal of Chemical Physics 144 (8), 084117.
Volltext nicht vorhanden.
, Usvyat, Denis
, Korona, Tatiana
und Schütz, Martin
(2012)
Application of Hermitian time-dependent coupled-cluster responseAnsätzeof second order to excitation energies and frequency-dependent dipole polarizabilities.
Physical Review A 86 (5).
Volltext nicht vorhanden.
(2007)
Prediction of Blood-Βrain Partitioning and Human Serum Albumin Binding Based on COSMO-RS σ-Moments.
Journal of Chemical Information and Modeling 47 (1), S. 228-233.
Volltext nicht vorhanden.
, Mataranga-Popa, Larisa, Li, Shu-Wei und Czerwieniec, Rafal
(2018)
Design strategies for materials showing thermally activated delayed fluorescence and beyond: Towards the fourth-generation OLED mechanism.
Journal of the Society for Information Display 26 (4), S. 194-199.
Volltext nicht vorhanden.
Yanase, K., Buchner, Richard
und Sato, T.
(2018)
Microglobule formation and a microscopic order parameter monitoring the phase transition of aqueous poly(N-isopropylacrylamide) solution.
Phys. Rev. Materials 2, 085601.
, Liang, Min, Hunger, Johannes
, Buchner, Richard
und Maroncelli, Mark
(2013)
Dielectric Relaxation and Solvation Dynamics in a Prototypical Ionic Liquid + Dipolar Protic Liquid Mixture: 1-Butyl-3-Methylimidazolium Tetrafluoroborate + Water.
Journal of Physical Chemistry B 117, S. 15356-15368.
Volltext nicht vorhanden.
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