Bibliography of the Universität Regensburg

University of Regensburg (1322)
- Chemistry and Pharmacy (1322)
  - Institut für Physikalische und Theoretische Chemie (1322)
    - Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) (430)
    - Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) (668)
    - Chair of Physical Chemistry I (39)
    - Research Group Theoretical Chemistry (33)
    - Alumni or Retired Professors (20)

Group by: Date | Creators | Item type | No Grouping

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Number of items at this level: 218.

2024

Friesen, Sergej, Kruchinin, Sergey E., Fedotova, Marina V.

and Buchner, Richard

(2024) Cation-Binding of Glutamate in Aqueous Solution. The Journal of Physical Chemistry B 128 (23), pp. 5746-5755.

Chemat, Aziadé, Touraud, Didier, Müller, Rainer

, Kunz, Werner

and Fabiano-Tixier, Anne-Sylvie (2024) Valorization of Coffee Silverskin Using Extraction Cycles and Water as a Solvent: Design of Process. Molecules 29 (6), p. 1318.

Fusina, Adrien

(2024) Hydrotropic Concepts Applied to the Water-solubilization of Polyphenols : Example of Meglumine, Modeling, Physicochemical Study and Applications. PhD, Universität Regensburg.

Schmidt, Michael, Huber, Verena, Touraud, Didier

and Kunz, Werner

(2024) Aromas: Lovely to Smell and Nice Solvents for Polyphenols? Curcumin Solubilisation Power of Fragrances and Flavours. Molecules 29 (2), p. 294.

Schlaghaufer, Florian (2024) Hochauflösende elektronische Spektroskopie großer Moleküle und van-der-Waals-Cluster im Molekularstrahl und deren Beziehung zu Mikrosolvatation in superflüssigen Heliumtröpfchen. PhD, Universität Regensburg.

2023

Stemplinger, Simon (2023) Theory of Soft Centrifugation of Structured Fluids Based on Hydrotropes. PhD, Universität Regensburg.

Schermer, Franz (2023) Lipase-Driven, Room-Temperature Solubilization Processes of Deposited Fat-Based Stains. PhD, Universität Regensburg.

Guðbrandsdóttir, Ragnheiður (2023) Structures in LKα14 dissolved in binary mixtures of water and ethanol. PhD, Universität Regensburg.

Rolka, Alessa B.

, Archipowa, Nataliya

, Kutta, Roger Jan

, König, Burkhard

and Toste, F. Dean

(2023) Hybrid Catalysts for Enantioselective Photo-Phosphoric Acid Catalysis. The Journal of Organic Chemistry 88, pp. 6509-6522. Fulltext not available.

2022

Artmann, Kevin, Li, Ru‐Jin, Juber, Selina, Benchimol, Elie, Schäfer, Lars V., Clever, Guido H. and Nuernberger, Patrick

(2022) Steuerung der ultraschnellen Öffnungs‐ und Schließungsdynamik eines photochromen Koordinationskäfigs durch Gastmoleküle. Angewandte Chemie 134 (49), e202212112.

Pavlovska, Tetiana

, Král Lesný, David, Svobodová, Eva

, Hoskovcová, Irena

, Archipowa, Nataliya

, Kutta, Roger Jan

and Cibulka, Radek

(2022) 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.

Shafikov, Marsel Z.

, Hodgson, Craig

, Gorski, Aleksander, Kowalczyk, Aleksandra

, Gapińska, Magdalena

, Kowalski, Konrad, Czerwieniec, Rafał

and Kozhevnikov, Valery N.

(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), pp. 1870-1877. Fulltext not available.

Chen, Xi

, Sukhanov, Andrey A.

, Taddei, Maria, Dick, Bernhard

, Zhao, Jianzhang, Voronkova, Violeta K. and 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), pp. 8740-8748. Fulltext not available.

Kowalczyk, Aleksandra, Piotrowicz, Michał

, Gapińska, Magdalena

, Trzybiński, Damian, Woźniak, Krzysztof, Golding, Taryn M., Stringer, Tameryn

, Smith, Gregory S.

, Czerwieniec, Rafał and Kowalski, Konrad

(2022) Chemistry of glycol nucleic acid (GNA): Synthesis, photophysical characterization and insight into the biological activity of phenanthrenyl GNA constituents. Bioorganic Chemistry 125, p. 105847. Fulltext not available.

Stewart, Andrew M.

, Shanmugam, Muralidharan

, Kutta, Roger J., Scrutton, Nigel S.

, Lovett, Janet E.

and Hay, Sam

(2022) Combined Pulsed Electron Double Resonance EPR and Molecular Dynamics Investigations of Calmodulin Suggest Effects of Crowding Agents on Protein Structures. Biochemistry 61 (17), pp. 1735-1742. Fulltext not available.

Schmid, Philipp, Hohenschutz, Max

, Graß, Xaver, Witzmann, Michael, Touraud, Didier, Diat, Olivier, Pfitzner, Arno

and Bauduin, Pierre (2022) 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, p. 119214. Fulltext not available.

Graf, Marion, Böttcher, Hans‐Christian, Mayer, Peter, Metzler‐Nolte, Nils

, Thavalingam, Sugina and Czerwieniec, Rafał (2022) Cytotoxic Activities of Bis‐cyclometalated Iridium(III) Complexes Containing Chloro‐substituted κ2N‐terpyridines. Zeitschrift für anorganische und allgemeine Chemie 648 (12).

Shekhovtsov, Nikita A.

, Kokina, Tatyana E., Vinogradova, Katerina A.

, Panarin, Andrey Y., Rakhmanova, Marianna I., Naumov, Dmitry Y., Pervukhina, Natalya V., Nikolaenkova, Elena B., Krivopalov, Viktor P., Czerwieniec, Rafał and Bushuev, Mark B.

(2022) Near-infrared emitting copper(i) complexes with a pyrazolylpyrimidine ligand: exploring relaxation pathways. Dalton Transactions 51 (7), pp. 2898-2911. Fulltext not available.

Agieienko, Vira, Neklyudov, Vadim and Buchner, Richard

(2022) Why Does Ethaline Apparently Behave as an Ideal Binary Mixture? The Journal of Physical Chemistry Letters 13 (46), pp. 10805-10809. Fulltext not available.

Schmid, Philipp, Jost, Gasper, Graß, Xaver, Touraud, Didier, Diat, Olivier, Pfitzner, Arno

and Bauduin, Pierre

(2022) {2-Phases 2-reactions 1-catalyst} concept for the sustainable performance of coupled reactions. Green Chemistry 24 (6), pp. 2516-2526. Fulltext not available.

2021

Krickl, Sebastian (2021) Investigation of Potential Applications of Surfactant-free Microemulsions – Solubilisation, Separation and Extraction Processes and Reaction Media. PhD, Universität Regensburg.

Shafikov, Marsel Z.

(2021) Spin-Orbit Coupling and Phosphorescence Rate of Dinuclear Iridium(III) complexes. PhD, Universität Regensburg.

Schinabeck, Alexander

(2021) Detailed Photophysical Investigations of OLED Relevant Cu(I) Complexes – From Phosphorescence to Thermally Activated Delayed Fluorescence (TADF). PhD, Universität Regensburg.

Glaser, Timo, Meinecke, Jannick, Freund, Lukas, Länger, Christian, Luy, Jan‐Niclas, Tonner, Ralf, Koert, Ulrich and 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), pp. 8082-8087.

Glaser, Timo, Meinecke, Jannick, Länger, Christian, Luy, Jan‐Niclas, Tonner, Ralf, Koert, Ulrich and Dürr, Michael (2021) Combined XPS and DFT investigation of the adsorption modes of methyl enol ether functionalized cyclooctyne on Si(001). ChemPhysChem 22 (4), pp. 404-409.

Shafikov, Marsel Z.

, Zaytsev, Andrey V.

and Kozhevnikov, Valery N.

(2021) 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), pp. 20531-20537. Fulltext not available.

Graf, Marion, Böttcher, Hans‐Christian, Metzler‐Nolte, Nils, Sünkel, Karlheinz, Thavalingam, Sugina and 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), pp. 519-524.

Shafikov, Marsel Z.

, Suleymanova, Alfiya F.

, Kutta, Roger J., Brandl, Fabian, Gorski, Aleksander and Czerwieniec, Rafał

(2021) Dual emissive dinuclear Pt(ii) complexes and application to singlet oxygen generation. Journal of Materials Chemistry C 9 (17), pp. 5808-5818. Fulltext not available.

Shafikov, Marsel Z.

, Pander, Piotr, Zaytsev, Andrey V.

, Daniels, Ruth

, Martinscroft, Ross, Dias, Fernando B.

, Williams, J. A. Gareth

and Kozhevnikov, Valery N.

(2021) 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), pp. 127-135. Fulltext not available.

Shafikov, Marsel Z.

, Martinscroft, Ross, Hodgson, Craig

, Hayer, Anna, Auch, Armin and Kozhevnikov, Valery N.

(2021) Non-Stereogenic Dinuclear Ir(III) Complex with a Molecular Rack Design to Afford Efficient Thermally Enhanced Red Emission. Inorganic Chemistry 60 (3), pp. 1780-1789. Fulltext not available.

Homeier, Herbert H. H.

, Srivastava, Hari M.

, Masjed‐Jamei, Mohammad and Moalemi, Zahra (2021) Some weighted quadrature methods based upon the mean value theorems. Mathematical Methods in the Applied Sciences 44 (5), pp. 3840-3856. Fulltext not available.

Delforce, Lucie, Hofmann, Evamaria, Nardello-Rataj, Véronique and Aubry, Jean-Marie (2021) TiO2 nanoparticle dispersions in water and nonaqueous solvents studied by gravitational sedimentation analysis: Complementarity of Hansen Parameters and DLVO interpretations. Colloids and Surfaces A: Physicochemical and Engineering Aspects 628, p. 127333. Fulltext not available.

2020

Myrdek, Thomas (2020) New Catanionics as suitable additives for oily formulations, especially lubricants. PhD, Universität Regensburg.

Li, Xinyao, Kutta, Roger J., Jandl, Christian, Bauer, Andreas, Nuernberger, Patrick

and Bach, Thorsten

(2020) 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), pp. 21640-21647.

David, David (2020) Development of local Coupled Cluster response methods for high-spin open-shell molecules. PhD, Universität Regensburg.

Lottner, E.-M. and Slenczka, A. (2020) Anthracene–Argon Clusters Generated in Superfluid Helium Nanodroplets: New Aspects on Cluster Formation and Microsolvation. The Journal of Physical Chemistry A 124 (2), pp. 311-321. Fulltext not available.

Loschen, Christoph, Reinisch, Jens and Klamt, Andreas (2020) COSMO-RS based predictions for the SAMPL6 logP challenge. Journal of Computer-Aided Molecular Design 34 (4), pp. 385-392. Fulltext not available.

Schwöbel, Johannes A. H., Ebert, Andrea

, Bittermann, Kai, Huniar, Uwe, Goss, Kai-Uwe and 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), pp. 3343-3354. Fulltext not available.

Luy, Jan-Niclas

and Tonner, Ralf

(2020) Complementary Base Lowers the Barrier in SuFEx Click Chemistry for Primary Amine Nucleophiles. ACS Omega 5 (48), pp. 31432-31439. Fulltext not available.

Brandl, Fabian, Bergwinkl, Sebastian, Allacher, Carina and Dick, Bernhard

(2020) Consecutive photoinduced electron transfer (conPET): The mechanism of the photocatalyst rhodamine-6G. Chemistry - A European Journal 26, pp. 7946-7954.

Chang, Xiang-Ke

, He, Yi, Hu, Xing-Biao, Sun, Jian-Qing and 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), pp. 593-627. Fulltext not available.

Klein, Marius, Rau, Nicholas, Wende, Mirco, Sundermeyer, Jörg, Cheng, Gang, Che, Chi-Ming, Schinabeck, Alexander and Yersin, Hartmut (2020) Cu(I) and Ag(I) Complexes with a New Type of Rigid Tridentate N,P,P-Ligand for Thermally Activated Delayed Fluorescence and OLEDs with High External Quantum Efficiency. Chemistry of Materials 32 (24), pp. 10365-10382. Fulltext not available.

Graml, Andreas, Neveselý, Tomáš, Kutta, Roger Jan, Cibulka, Radek

and König, Burkhard

(2020) Deazaflavin reductive photocatalysis involves excited semiquinone radicals. Nature Communications 11, p. 3174.

Agieienko, Vira

and Buchner, Richard

(2020) Dielectric relaxation of deep eutectic solvent + water mixtures: structural implications and application to microwave heating. Physical Chemistry Chemical Physics 22 (36), pp. 20466-20476. Fulltext not available.

Magerl, Kathrin and Dick, Bernhard

(2020) Dimerization of LOV domains of Rhodobacter sphaeroides (RsLOV) studied with FRET and stopped-flow experiments. Photochemical & Photobiological Sciences 19 (2), pp. 159-170. Fulltext not available.

Jamshidi, Mahboubeh, Barzegar-Kiadehi, S. Reza, Golbon Haghighi, Mohsen and Notash, Behrouz

(2020) Dual-Emissive Bis(diphenylphosphino)amine Platinum Complexes: Structural, Reactivity, Photophysical, and Theoretical Investigations. Organometallics 39 (17), pp. 3099-3111. Fulltext not available.

Watanabe, Hikari

, Arai, Nana

, Kameda, Yasuo, Buchner, Richard

and 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), pp. 11157-11164. Fulltext not available.

Guo, Huimin

, Xia, Hongyu, Ma, Xiaolin, Chen, Kepeng, Dang, Can, Zhao, Jianzhang

and Dick, Bernhard

(2020) Efficient Photooxidation of Sulfides with Amidated Alloxazines as Heavy-atom-free Photosensitizers. ACS Omega 5 (18), pp. 10586-10595. Fulltext not available.

Gruening, Martina, Neuber, Sven, Nestler, Peter, Lehnfeld, Jutta, Dubs, Manuela, Fricke, Katja, Schnabelrauch, Matthias, Helm, Christiane A., Müller, Rainer

, Staehlke, Susanne and 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. Fulltext not available.

Moshynets, Olena

, Chernii, Svitlana, Chernii, Victor, Losytskyy, Mykhaylo, Karakhim, Serhii, Czerwieniec, Rafal, Pekhnyo, Vasyl, Yarmoluk, Sergiy and Kovalska, Vladyslava (2020) Fluorescent β-ketoenole AmyGreen dye for visualization of amyloid components of bacterial biofilms. Methods and Applications in Fluorescence 8 (3), 035006. Fulltext not available.

Herritsch, Jan, Luy, Jan-Niclas, Rohlf, Sebastian, Gruber, Manuel, Klein, Benedikt P., Kalläne, Matthias, Schweyen, Peter, Bröring, Martin, Rossnagel, Kai, Tonner, Ralf

and 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. Fulltext not available.

Shafikov, Marsel Z.

, Zaytsev, Andrey V.

, Suleymanova, Alfiya F., Brandl, Fabian, Kowalczyk, Aleksandra

, Gapińska, Magdalena

, Kowalski, Konrad

, Kozhevnikov, Valery N.

and 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), pp. 5849-5855. Fulltext not available.

Brock, Damian, Koder, Alexander, Rabl, Hans-Peter, Touraud, Didier and Kunz, Werner

(2020) Optimising the biodiesel production process: Implementation of glycerol derivatives into biofuel formulations and their potential to form hydrofuels. Fuel 264, p. 116695. Fulltext not available.

Giedyk, Maciej

, Narobe, Rok, Weiß, Sophia, Touraud, Didier, Kunz, Werner

and König, Burkhard

(2020) Photocatalytic activation of alkyl chlorides by assembly-promoted single electron transfer in microheterogeneous solutions. Naturecatalysis 3, pp. 40-47. Fulltext not available.

Giedyk, Maciej

, Narobe, Rok, Weiss, Sophia, Touraud, Didier, Kunz, Werner

and König, Burkhard

(2020) Photocatalytic activation of alkyl chlorides by assembly-promoted single electron transfer in microheterogenous solutions. Nature Catalysis 3 (1), pp. 40-47. Fulltext not available.

El Maangar, Asmae, Degot, Pierre, Huber, Verena, Causse, Jeremy, Berthault, Patrick, Touraud, Didier, Kunz, Werner and Zemb, Thomas (2020) Pre-nucleation cluster formation upon ethyl acetate addition to an aqueous solution of an anionic hydrotrope. Journal of Molecular Liquids 310, p. 113240. Fulltext not available.

Pongratz, Tim, Kibies, Patrick, Eberlein, Lukas, Tielker, Nicolas, Hölzl, Christoph, Imoto, Sho, Beck Erlach, Markus, Kurrmann, Simon, Schummel, Paul Hendrik, Hofmann, Martin, Reiser, Oliver

, Winter, Roland, Kremer, Werner, Kalbitzer, Hans Robert, Marx, Dominik, Horinek, Dominik and Kast, Stefan M. (2020) Pressure-dependent electronic structure calculations using integral equation-based solvation models. Biophysical Chemistry 257, p. 106258. Fulltext not available.

Marefat Khah, Alireza, Reinholdt, Peter

, Nuernberger, Patrick

, Kongsted, Jacob

and 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), pp. 5203-5211. Fulltext not available.

Wang, Zhijia

, Ivanov, Mikhail

, Gao, Yuting, Bussotti, Laura, Foggi, Paolo, Zhang, Huimin, Russo, Nino, Dick, Bernhard

, Zhao, Jianzhang

, Di Donato, Mariangela

, Mazzone, Gloria

, Luo, Liang

and 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), pp. 1091-1102. Fulltext not available.

Dong, Yu, Dick, Bernhard

and 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), pp. 5535-5539. Fulltext not available.

2019

Moreno Gómez, Nicolás

(2019) Solvation and Molecular Encapsulation by Ionic Resorcin[4]arenes in Polar Media. PhD, Universität Regensburg.

Hofmann, Matthias Josef (2019) Studies of Ionic Surfactant Systems Using Surface Rheology With a Focus on the Oscillating Bubble Technique. PhD, Universität Regensburg.

Klamt, Andreas

, Schwöbel, Johannes, Huniar, Uwe, Koch, Larissa, Terzi, Selman and Gaudin, Théophile (2019) COSMOplex: self-consistent simulation of self-organizing inhomogeneous systems based on COSMO-RS. Physical Chemistry Chemical Physics 21 (18), pp. 9225-9238. Fulltext not available.

Shafikov, Marsel Z.

, Brandl, Fabian, Dick, Bernhard

and Czerwieniec, Rafał

(2019) Can Coumarins Break Kasha’s Rule? The Journal of Physical Chemistry Letters 10 (21), pp. 6468-6471. Fulltext not available.

Friesen, Sergej, Hefter, Glenn and Buchner, Richard

(2019) Cation hydration and ion pairing in aqueous solution of MgCl2 and CaCl2. Journal of Physical Chemistry B 123 (4), pp. 891-900. Fulltext not available.

Weniger, Ernst Joachim (2019) Comment on “Fourier transform of hydrogen-type atomic orbitals”. Canadian Journal of Physics 97 (12), pp. 1349-1360. Fulltext not available.

Agieienko, Vira and Buchner, Richard

(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), pp. 4763-4774. Fulltext not available.

Knierbein, Michael, Held, Christoph, Hölzl, Christoph, Horinek, Dominik

, Paulus, Michael, Sadowski, Gabriele, Sternemann, Christian

and Nase, Julia (2019) Density variations of TMAO solutions in the kilobar range: Experiments, PC-SAFT predictions, and molecular dynamics simulations. Biophysical Chemistry 253, p. 106222. Fulltext not available.

Arai, Nana, Watanabe, Hikari, Yamaguchi, Tsuyoshi

, Seki, Shiro, Ueno, Kazuhide, Dokko, Kaoru

, Watanabe, Masayoshi, Kameda, Yasuo, Buchner, Richard

and Umebayashi, Yasuhiro (2019) Dynamic Chelate Effect on the Li+-Ion Conduction in Solvate Ionic Liquids. The Journal of Physical Chemistry C 123 (50), pp. 30228-30233. Fulltext not available.

Tsurko, Elena N., Neueder, Roland, Held, Christoph and Kunz, Werner

(2019) 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), pp. 1256-1264. Fulltext not available.

Moreno-Gomez, Nicolas, Vargas, Edgar F.

and Buchner, Richard

(2019) Hydration and Counterion Binding of an Aminomethylated Resorcin[4]arene. Journal of Physical Chemistry B 123 (8), pp. 1840-1846. Fulltext not available.

Dick, Bernhard

(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), pp. 19499-19512. Fulltext not available.

Plowas-Korus, Iwona

and Buchner, Richard

(2019) Molecular Dynamics and Interactions in Aqueous Xylitol Solutions. Physical Chemistry Chemical Physics 21 (43), pp. 24061-24069. Fulltext not available.

Pleines, Maximilian, Kunz, Werner

, Zemb, Thomas, Benczedi, Daniel and Fieber, Wolfgang (2019) Molecular factors governing the viscosity peak of giant micelles in the presence of salt and fragrances. Journal of Colloid and Interface Science 537, pp. 682-693. Fulltext not available.

Grundl, Gabriel, Tsurko, Elena N., Neueder, Roland and Kunz, Werner

(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, p. 105878. Fulltext not available.

Häckl, Katharina, Li, Hua, Aldous, Iain, Tsui, Terrence, Kunz, Werner

, Abbott, Andrew P., Warr, Gregory and Atkin, Rob (2019) Potential dependence of surfactant adsorption at graphite electrode/deep eutectic solvent interface. Journal of Physical Chemistry Letters 10 (18), pp. 5331-5337. Fulltext not available.

van der Spoel, David

, Manzetti, Sergio

, Zhang, Haiyang

and Klamt, Andreas

(2019) Prediction of Partition Coefficients of Environmental Toxins Using Computational Chemistry Methods. ACS Omega 4 (9), pp. 13772-13781. Fulltext not available.

Mayer, Michael

, Hahn, Maximilian, Gerstl, Florian, Köwer, Thomas, Rink, Simone, Kunz, Werner

, Duerkop, Axel and Bäumner, Antje J.

(2019) Shedding Light on the Diversity of Surfactant Interactions with Luminol Electrochemiluminescence for Bioanalysis. Analytical Chemistry 91 (20), pp. 13080-13087. Fulltext not available.

Feucht, Dominik C., Hofmann, Matthias J. and Motschmann, Hubert (2019) Simultaneous measurement of the thickness and the lifetime of a foam lamella. Review of Scientific Instruments 90 (12), p. 124102. Fulltext not available.

Buchner, Richard

, Wachter, Wolfgang and Hefter, Glenn

(2019) Systematic Variations of Ion Hydration in Aqueous Alkali Metal Fluoride Solutions. The Journal of Physical Chemistry B 123 (50), pp. 10868-10876. Fulltext not available.

Moreno, Nicolas, Buchner, Richard

and 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, p. 111233. Fulltext not available.

Hofmann, Matthias J., Leontidis, Epameinondas

and 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, pp. 217-223. Fulltext not available.

Shafikov, Marsel Z.

, Daniels, Ruth and Kozhevnikov, Valery N.

(2019) Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design. The Journal of Physical Chemistry Letters 10 (22), pp. 7015-7024. Fulltext not available.

2018

Kovalska, Vladyslava, Chernii, Svitlana

, Losytskyy, Mykhaylo

, Dovbii, Yan, Tretyakova, Iryna, Czerwieniec, Rafal, Gorskii, Aleksandr

, Chernii, Victor

and Yarmoluk, Sergiy (2018) Design of functionalized b-ketoenole derivatives as efficient fluorescent dyes for detection of amyloid fibrils. New Journal of Chemistry 42, pp. 13308-13318.

Stambolić, Ivan (2018) Photosensing in LOV domains: a computational study of signal transduction pathways. PhD, Universität Regensburg.

Klamt, Andreas and Diedenhofen, Michael (2018) A refined cavity construction algorithm for the conductor-like screening model. Journal of Computational Chemistry 39 (21), pp. 1648-1655. Fulltext not available.

Duan, Yaqing, Freyburger, Auriane, Kunz, Werner

and Zollfrank, Cordt (2018) Cellulose and chitin composite materials from a green solvent. Carbohydrate Polymers 192, pp. 159-165. Fulltext not available.

Loschen, Christoph and Klamt, Andreas

(2018) Cocrystal Ternary Phase Diagrams from Density Functional Theory and Solvation Thermodynamics. Crystal Growth & Design 18 (9), pp. 5600-5608. Fulltext not available.

Yersin, Hartmut

, Mataranga-Popa, Larisa, Li, Shu-Wei and 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), pp. 194-199. Fulltext not available.

Schinabeck, Alexander, Leitl, Markus J. and Yersin, Hartmut (2018) Dinuclear Cu(I) Complex with Combined Bright TADF and Phosphorescence. Zero-Field Splitting and Spin–Lattice Relaxation Effects of the Triplet State. The Journal of Physical Chemistry Letters 9 (11), pp. 2848-2856. Fulltext not available.

Krickl, Sebastian, Touraud, Didier, Bauduin, Pierre, Zinn, Thomas and Kunz, Werner

(2018) Enzyme activity of horse radish peroxidase in surfactant-free microemulsions. Journal of Colloid and Interface Science 516, pp. 466-475. Fulltext not available.

Friesen, Sergej, Krickl, Sebastian, Luger, Magdalena, Nazet, Andreas, Hefter, Glenn

and Buchner, Richard

(2018) Hydration and ion association of La3+ and Eu3+ salts in aqueous solution. Physical Chemistry Chemical Physics 20 (13), pp. 8812-8821. Fulltext not available.

Reich, Johannes, Tamura, Hiroshi, Nagaoka, Isao and Motschmann, Hubert (2018) Investigation of the kinetics and mechanism of low endotoxin recovery in a matrix for biopharmaceutical drug products. Biologicals 53, pp. 1-9. Fulltext not available.

Yanase, K., Buchner, Richard

and 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.

Brock, Damian, Koder, Alexander, Rabl, Hans-Peter, Touraud, Didier and Kunz, Werner

(2018) New completely renewable biofuels: formulations and engine tests on an unmodified up-to-date diesel engine. Green Chemistry 20 (14), pp. 3308-3317. Fulltext not available.

Müller, Eva, Zahnweh, Lydia, Estrine, Boris, Zech, Oliver, Allolio, Christoph

, Heilmann, Jörg and Kunz, Werner

(2018) Oligoether Carboxylate Counterions: An Innovative Way Towards Surfactant Ionic Liquids. Journal of Molecular Liquids 251, pp. 61-69. Fulltext not available.

Andersson, M.P., Eckert, F., Reinisch, J. and Klamt, A. (2018) Prediction of aliphatic and aromatic oil-water interfacial tension at temperatures >100 °C using COSMO-RS. Fluid Phase Equilibria 476, pp. 25-29. Fulltext not available.

Schöttl, Sebastian and Horinek, Dominik

(2018) Salt effects in surfactant-free microemulsions. The Journal of Chemical Physics 148 (22), p. 222818. Fulltext not available.

Häckl, Katharina and Kunz, Werner

(2018) Some aspects of green solvents. Comptes Rendus Chimie 21 (6), pp. 572-580. Fulltext not available.

Montara, Laura, Lima, Filipe S., Cuccovia, I. M., Nazet, Andreas, Horinek, Dominik

, Buchner, Richard

and Chaimovich, H.

(2018) Specific Ion Effects on Zwitterionic Micelles Are Independent of Interfacial Hydration Changes. Langmuir 34 (37), pp. 11049-11057. Fulltext not available.

Hofmann, Matthias J. and Motschmann, Hubert (2018) The surface rheological signature of the geometric isomers of an azobenzene–surfactant. Physical Chemistry Chemical Physics 20 (18), pp. 12659-12663. Fulltext not available.

Tsurko, Elena N., Neueder, Roland and Kunz, Werner

(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), pp. 727-748. Fulltext not available.

2017

Hofmann, Matthias J. and Motschmann, Hubert (2017) A parameter predict ing the foam stability of mixtures of aqueous ionic amphiphile solutions with indifferent electrolyte. Colloids and Surfaces A: Physicochemical and Engineering Aspects 529, pp. 1024-1029. Fulltext not available.

Peter, Emanuel K.

(2017) Adaptive enhanced sampling with a path-variable for the simulation of protein folding and aggregation. The Journal of Chemical Physics 147 (21), p. 214902. Fulltext not available.

Peter, Emanuel K.

and Shea, Joan-Emma (2017) An adaptive bias – hybrid MD/kMC algorithm for protein folding and aggregation. Physical Chemistry Chemical Physics 19 (26), pp. 17373-17382. Fulltext not available.

Graf, Marion, Gothe, Yvonne, Metzler-Nolte, Nils, Czerwieniec, Rafał

and 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, pp. 36-43. Fulltext not available.

Nazet, Andreas, Sokolov, Sophia, Sonnleitner, Thomas, Friesen, Sergej and Buchner, Richard

(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), pp. 2549-2561. Fulltext not available.

Harifi-Mood, Ali Reza

and 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, pp. 689-695. Fulltext not available.

Shafikov, Marsel Z.

, Suleymanova, Alfiya F.

, Czerwieniec, Rafał

and Yersin, Hartmut

(2017) Design Strategy for Ag(I)-Based Thermally Activated Delayed Fluorescence Reaching an Efficiency Breakthrough. Chemistry of Materials 29 (4), pp. 1708-1715. Fulltext not available.

Nazet, Andreas, Weiß, Lisa and Buchner, Richard

(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, pp. 81-90. Fulltext not available.

Krickl, Sebastian, Touraud, Didier and Kunz, Werner

(2017) Extraction and stabilization of natural rubber latex from Taraxacum kok-saghyz and from Hevea brasiliensis using ethanolamine as replacement for ammonia and potassium hydroxide. Industrial Crops and Products 103, pp. 169-174. Fulltext not available.

Schwöbel, Johannes A. H., Preißinger, Markus

, Brüggemann, Dieter and 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), pp. 788-798. Fulltext not available.

Magarkar, Aniket, Jurkiewicz, Piotr, Allolio, Christoph, Hof, Martin

and Jungwirth, Pavel

(2017) Increased Binding of Calcium Ions at Positively Curved Phospholipid Membranes. The Journal of Physical Chemistry Letters 8 (2), pp. 518-523. Fulltext not available.

Skiba, Joanna, Bernas, T., Trzybiński, D.

, Shafikov, Marsel Z. and Czerwieniec, Rafal (2017) Mitochondria Targeting with Luminescent Rhenium(I) Complexes. Molecules 22, p. 809.

Preißinger, Markus

, Schwöbel, Johannes A. H., Klamt, Andreas and Brüggemann, Dieter (2017) 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, pp. 887-899. Fulltext not available.

Hu, Zhongshuang, Murakami, Taisuke, Tamura, Hiroshi, Reich, Johannes, Kuwahara-Arai, Kyoko, Iba, Toshiaki, Tabe, Yoko and Nagaoka, Isao (2017) Neutrophil extracellular traps induce IL-1β production by macrophages in combination with lipopolysaccharide. International Journal of Molecular Medicine 39 (3), pp. 549-558. Fulltext not available.

Khoshsima, Ali, Brock, Damian, Touraud, Didier and Kunz, Werner

(2017) Pre-formulation of automotive bio-fuels: kinematic viscosities, low-temperature phase behaviour and nanostructuring of ethanol/”ethanolotrope”/rapeseed oil mixtures. Fuel 191, pp. 212-220. Fulltext not available.

Glaab, Fabian, Rieder, Julian, Klein, Regina, Choquesillo-Lazarte, D.

, Melero-Garcia, Emilio, Garcia-Ruiz, Juan Manuel

, Kunz, Werner

and Kellermeier, Matthias (2017) Precipitation and Crystallization Kinetics in Silica Gardens. ChemPhysChem 18 (4), pp. 338-345.

Liu, Shengwen, Sandner, Beatrice, Nicholson, LaShae, Schackel, Thomas, Tenenbaum, Liliane, Puttagunta, Radhika

, Müller, Rainer

, Weidner, Norbert

and Blesch, Armin (2017) Regulated viral BDNF delivery in combination with Schwann cells promotes axonal regeneration through capillary alginate hydrogels after spinal cord injury. Acta Biomaterialia 60, pp. 167-180. Fulltext not available.

Grundl, Gabriel, Müller, Martina, Touraud, Didier and Kunz, Werner

(2017) Salting-out and salting-in effects of organic compounds. Journal of Molecular Liquids 236, pp. 368-375. Fulltext not available.

Rodnikova, M. N., Idiyatullin, Z. Sh., Barthel, J., Solonina, I. A. and Sirotkin, D. A. (2017) Self-diffusion of molecules in ethylene glycol solutions of dimethyl sulfoxide. Journal of Molecular Liquids 248, pp. 898-901. Fulltext not available.

Kurtanidze, Manoni, Butkhuzi, Marina, Kokiashvili, Nino, Bezarashvili, George, Marcus, Julien, Kunz, Werner and Sigua, Ketevan

(2017) Study of structural changes of water confined in Brij-30 reverse micelles: Revealing influence of ionic additives. Colloids and Surfaces, A: Physicochemical and Engineering Aspects 519, pp. 98-105. Fulltext not available.

Moreno-Gomez, Nicolas, Vargas, Edgar F.

and Buchner, Richard

(2017) The effect of alkyl-chain branching on the hydration and ion association of tetrabutylammonium cations. Journal of Molecular Liquids 248, pp. 586-594. Fulltext not available.

Shafikov, Marsel Z.

, Suleymanova, Alfiya F.

, Czerwieniec, Rafał and Yersin, Hartmut

(2017) Thermally Activated Delayed Fluorescence from Ag(I) Complexes: A Route to 100% Quantum Yield at Unprecedentedly Short Decay Time. Inorganic Chemistry 56 (21), pp. 13274-13285. Fulltext not available.

2016

Simbeck, Tobias (2016) Korrosionsschutz von Kupfer durch Adsorption monomerer und polymerer Azolmoleküle -Von energetischen zu kinetischen Studien-. PhD, Universität Regensburg.

Wälz, Gero, Usvyat, Denis

, Korona, Tatiana

and 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. Fulltext not available.

Hu, Zhongshuang, Murakami, Taisuke, Suzuki, Kaori, Tamura, Hiroshi, Reich, Johannes, Kuwahara-Arai, Kyoko, Iba, Toshiaki and Nagaoka, Isao (2016) Antimicrobial cathelicidin peptide LL-37 inhibits the pyroptosis of macrophages and improves the survival of polybacterial septic mice. International Immunology 28 (5), pp. 245-253. Fulltext not available.

Klamt, Andreas

(2016) COSMO-RS for aqueous solvation and interfaces. Fluid Phase Equilibria 407, pp. 152-158. Fulltext not available.

Klamt, A. (2016) COSMO-RSC: Second-Order Quasi-Chemical Theory Recovering Local Surface Correlation Effects. The Journal of Physical Chemistry A 120 (12), pp. 2049-2056. Fulltext not available.

Loschen, Christoph and Klamt, Andreas (2016) Computational Screening of Drug Solvates. Pharmaceutical Research 33 (11), pp. 2794-2804. Fulltext not available.

Hölzl, Christoph, Kibies, Patrick, Imoto, Sho, Frach, Roland, Suladze, Saba

, Winter, Roland

, Marx, Dominik, Horinek, Dominik

and 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), p. 144104. Fulltext not available.

Allolio, Christoph, Baxova, Katarina, Vazdar, Mario

and Jungwirth, Pavel

(2016) Guanidinium Pairing Facilitates Membrane Translocation. The Journal of Physical Chemistry B 120 (1), pp. 143-153. Fulltext not available.

Reich, Johannes

, Lang, Pierre, Grallert, Holger and Motschmann, Hubert (2016) Masking of endotoxin in surfactant samples: Effects on Limulus-based detection systems. Biologicals 44 (5), pp. 417-422. Fulltext not available.

Shafikov, Marsel Z.

, Kozhevnikov, Dmitry N., Bodensteiner, Michael, Brandl, Fabian and Czerwieniec, Rafał

(2016) Modulation of Intersystem Crossing Rate by Minor Ligand Modifications in Cyclometalated Platinum(II) Complexes. Inorganic Chemistry 55 (15), pp. 7457-7466. Fulltext not available.

Klamt, Andreas, Eckert, Frank, Reinisch, Jens and Wichmann, Karin (2016) Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data set. Journal of Computer-Aided Molecular Design 30 (11), pp. 959-967. Fulltext not available.

Prevost, Sylvain, Lopian, Tobias, Pleines, Maximilian, Diat, Olivier and Zemb, Thomas (2016) Small-angle scattering and morphologies of ultra-flexible microemulsions. Journal of Applied Crystallography 49 (6), pp. 2063-2072. Fulltext not available.

Frach, Roland, Kibies, Patrick, Böttcher, Saraphina, Pongratz, Tim, Strohfeldt, Steven, Kurrmann, Simon, Koehler, Joerg, Hofmann, Martin, Kremer, Werner, Kalbitzer, Hans Robert, Reiser, Oliver

, Horinek, Dominik

and Kast, Stefan M. (2016) The Chemical Shift Baseline for High-Pressure NMR Spectra of Proteins. Angewandte Chemie International Edition 55 (30), pp. 8757-8760. Fulltext not available.

Bošković, Perica, Sokol, Vesna

, Touraud, Didier, Prkić, Ante

and Giljanović, Josipa (2016) The Nanostructure Studies of Surfactant-Free-Microemulsions in Fragrance Tinctures. Acta Chimica Slovenica 63 (1), pp. 138-143. Fulltext not available.

Kovalska, Vladyslava, Chernii, Svitlana, Losytskyy, Mykhaylo, Dovbii, Yan, Tretyakova, Iryna, Czerwieniec, Rafal

, Chernii, Victor, Yarmoluk, Sergiy and Volkov, Sergiy (2016) β-ketoenole dyes: Synthesis and study as fluorescent sensors for protein amyloid aggregates. Dyes and Pigments 132, pp. 274-281. Fulltext not available.

2013

Hofbeck, Thomas (2013) Radiative und nicht-radiative Desaktivierung von OLED-relevanten Ir(III)- und Pt(II)-Komplexen. PhD, Universität Regensburg.

2012

Avola, Sabine (2012) Salt effects in hydrothermal synthesis. PhD, Universität Regensburg.

Abd ur Rahman, Hafiz Muhammad (2012) Dielectric spectroscopy of the hydration of organic anions as models for anionic residues of biomolecules. PhD, Universität Regensburg.

Stage, Christiane (2012) Summenfrequenz-Spektroskopie: Untersuchungen zu ionenspezifischen Effekten und Entwicklung eines ortsauflösenden
Verfahrens. PhD, Universität Regensburg.

2011

Klein, Regina (2011) Choline applied as counterion – a strategy for the design of biocompatible surfactants and green ionic liquids. PhD, Universität Regensburg.

Homeier, Herbert H. H. (2011) Series Prediction based on Algebraic Approximants. ISRN Applied Mathematics 2011.

Megerle, U., Wenninger, M., Kutta, Roger J., Lechner, Robert, Dick, Bernhard, König, Burkhard and Riedle, E. (2011) Unraveling the flavin-catalyzed photooxidation of benzylic alcohol with transient absorption spectroscopy from sub-pico- to microseconds. Physical Chemistry Chemical Physics : PCCP (13), pp. 8869-8880.

2009

Homeier, H. H. H. (2009) On Newton-type methods for multiple roots with cubic convergence. Journal of Computational and Applied Mathematics 231, pp. 249-254. Fulltext not available.

Kozhevnikov, D. N., Kozhevnikov, V. N., Ustinova, M. M., Santoro, A., Bruce, D. W., König, Burkhard, Czerwieniec, R., Fischer, T., Zabel, Manfred and Yersin, Hartmut (2009) Synthesis of Cyclometallated Platinum Complexes with Substituted Thienylpyridines and Detailed Characterization of Their Luminescence Properties. Inorganic Chemistry 48, pp. 4179-4189. Fulltext not available.

2008

Baeurle, Stephan Alexander (2008) Molekulardynamik im erweiterten Phasenraum. Diplomarbeit, Universität Regensburg.

Svoboda, J., König, B., Sadeghian, K. and Schütz, M. (2008) 2´-Oxoethyl Flavin Revisited. Z. Naturforsch. 63b, 47 - 54. Fulltext not available.

2006

Simonin, Jean-Pierre, Bernard, Olivier, Krebs, Stéphane and Kunz, Werner (2006) Modelling of the thermodynamic properties of ionic solutions using a stepwise solvation-equilibrium model. Fluid Phase Equilibria 242 (2), pp. 176-188. Fulltext restricted.

Vrbka, Luboš, Jungwirth, Pavel, Bauduin, Pierre, Touraud, Didier and Kunz, Werner (2006) Specific Ion Effects at Protein Surfaces: A Molecular Dynamics Study of Bovine Pancreatic Trypsin Inhibitor and Horseradish Peroxidase in Selected Salt Solutions. The journal of physical chemistry B 110 (13), pp. 7036-7043. Fulltext restricted.

Tomšič, Matija, Bešter-Rogač, Marija, Jamnik, Andrej, Kunz, Werner, Touraud, Didier, Bergmann, Alexander and Glatter, Otto (2006) Ternary systems of nonionic surfactant Brij 35, water and various simple alcohols: Structural investigations by small-angle X-ray scattering and dynamic light scattering. Journal of Colloid and Interface Science 294 (1), pp. 194-211. Fulltext restricted.

Schrödle, Simon, Hefter, Glenn, Kunz, Werner and Buchner, Richard (2006) Effects of Nonionic Surfactant C12E5 on the Cooperative Dynamics of Water. Langmuir 22 (3), pp. 924-932. Fulltext restricted.

Bauduin, Pierre, Nohmie, Fawaz, Touraud, Didier, Neueder, Roland, Kunz, Werner and Ninham, Barry W. (2006) Hofmeister specific-ion effects on enzyme activity and buffer pH: Horseradish peroxidase in citrate buffer. Journal of Molecular Liquids 123 (1), pp. 14-19. Fulltext restricted.

Nasirzadeh, Karamat, Neueder, Roland and Kunz, Werner (2006) Vapor Pressure Determination of the Aliphatic C5 to C8 1-Alcohols. Journal of Chemical & Engineering Data 51 (1), pp. 7-10. Fulltext restricted.

Voinescu, Alina E., Kellermeier, Matthias, Carnerup, Anna M., Larsson, Ann-Kristin, Touraud, Didier, Hyde, Stephen T. and Kunz, Werner (2006) Co-precipitation of silica and alkaline-earth carbonates using TEOS as silica source. Journal of the American Chemical Society : JACS. (Submitted) Fulltext not available.

Voinescu, Alina E., Kellermeier, Matthias, Carnerup, Anna M., Larsson, Ann-Kristin, Touraud, Didier, Hyde, Stephen T. and Kunz, Werner (2006) Co-precipitation of silica and alkaline-earth carbonates using TEOS as silica source. Journal of colloid and interface science. (Submitted) Fulltext not available.

Simonin, Jean-Pierre, Krebs, Stéphane and Kunz, Werner (2006) Inclusion of ion hydration in the MSA-NRTL model for a description of the thermodynamic properties of ionic solutions. Application to the study of aqueous solutions of associating acids. Industrial & engineering chemistry research. (In Press) Fulltext not available.

Thomaier, Stefan and Kunz, Werner (2006) Ionic liquid aggregates in a continuous ionic liquid phase - A new class of colloidal systems. Journal of Molecular Liquids. (In Press) Fulltext not available.

Wahab, Abdul, Mahiuddin, Sekh, Hefter, Glenn and Kunz, Werner (2006) Isentropic compressibility, density, viscosity, and electrical conductivity of aqueous solutions of Mg(OAc)2 and Mg(NO3)2. The Journal of Chemical Engineering Data. (Submitted) Fulltext not available.

Eljaouhari, Ahmed A., Müller, Rainer, Kellermeier, Matthias, Heckmann, Klaus and Kunz, Werner (2006) New Anisitropic Ceramic Materials from Chemically Fixed Dissipative Structures. Langmuir. (Submitted) Fulltext not available.

Minofar, Babak, Wahab, Abdul, Mahiuddin, Sekh, Kunz, Werner and Jungwirth, Pavel (2006) Propensity for the air/water interface and ion pairing in magnesium acetate vs. magnesium nitrate solutions: Molecular dynamics simulations and surface tension measurements. The Journal of Physical Chemistry B. (In Press) Fulltext not available.

Queste, Sébastien, Bauduin, Pierre, Touraud, Didier, Kunz, Werner and Aubry, Jean-Marie (2006) Short Chain Glycerol 1-Monoethers – a New Class of Green Solvo-Surfactants, Green Chemistry. Green Chemistry. (Submitted) Fulltext not available.

Voinescu, Alina, Bauduin, Pierre, Pinna, M. Cristina, Touraud, Didier, Ninham, Barry W. and Kunz, Werner (2006) Similarity of Salt Influences on the pH of Buffers, Polyelectrolytes, and Proteins. The journal of physical chemistry B 110 (17), pp. 8870-8876. Fulltext restricted.

Kunz, Werner (2006) Specific ion effects in liquids, in biological systems and at interfaces. Pure and applied chemistry. (In Press) Fulltext not available.

Renoncourt, A., Vlachy, N., Bauduin, P., Nicholl, E., Touraud, D., Verbavatz, J. M., Dubois, M., Drechsler, M. and Kunz, W. (2006) Spontaneous Vesicle Formation of an Industrial Single Chain Surfactant at Acidic pH and at Room Temperature. ChemPhysChem. (Submitted) Fulltext not available.

2005

Seitz, Michael, Stempfhuber, Sabine, Zabel, Manfred, Schütz, Martin and Reiser, Oliver (2005) Helical Chirality in Pentacoordinate Zinc Complexes - Selective Access to Both Pseudoenantiomers with One Ligand Configuration. Angewandte Chemie International Edition 44 (2), pp. 242-245. Fulltext not available.

Homeier, H. H. H. (2005) On Newton-type Methods with Cubic Convergence. Journal of Computational and Applied Mathematics 176, pp. 425-432. Fulltext not available.

2004

Straßer, Andreas (2004) Photophysik und Photochemie von Tetraphenylporphyrinkomplexen des Zirconiums und des Hafniums. PhD, Universität Regensburg.

Homeier, H. H. H. (2004) A modified Newton method with cubic convergence: The multivariate case. Journal of Computational and Applied Mathematics 169, pp. 161-169. Fulltext not available.

Feil, T. M. and Homeier, H. H. H. (2004) Programs for the approximation of real and imaginary single- and multi-valued functions by means of Hermite-Padé-approximants. Computer Physics Communications 158, pp. 124-135. Fulltext not available.

2003

Neiß, Christian (2003) Quantenchemische und molekulardynamische Untersuchungen zum Reaktionsmechanismus von Phototropin. PhD, Universität Regensburg.

Homeier, H. H. H.

(2003) A modified Newton method for root finding with cubic convergence. Journal of Computational and Applied Mathematics 157 (1), pp. 227-230. Fulltext not available.

Homeier, H. H. H.

(2003) A modified Newton method for rootfinding with cubic convergence. Journal of Computational and Applied Mathematics 157 (1), pp. 227-230. Fulltext not available.

Abke, Jochen (2003) Verbesserung der Biokompatibilität metallischer Implantate durch kovalente Anbindung einer quervernetzten Kollagenschicht. PhD, Universität Regensburg.

Sato, T. and Buchner, Richard (2003) The cooperative dynamics of the H-bond system in 2-propanol/water mixtures: Steric hindrance effects of nonpolar head group. Journal of Chemical Physics 119 (20), pp. 10789-10800. Fulltext not available.

2000

Homeier, H. H. H. (2000) On the Extrapolation of Perturbation Series. Acta Applicandae Mathematicae 61 (1/3), pp. 133-147. Fulltext not available.

Homeier, H. H. H.

and Neef, M. D. (2000) Performance of the Effective-characteristic-polynomial Pi2 Method for Diatomic Molecules: Basis-set Dependencies and Vibrational Levels. Internet Journal of Chemistry 3 (Art. 5), no pp. given.

Homeier, H. H. H. (2000) Scalar Levin-type sequence transformations. Journal of Computational and Applied Mathematics 122 (1-2), pp. 81-147. Fulltext not available.

1999

Steinborn, E. O., Homeier, H. H. H., Fernández Rico, J., Ema, I., López, R. and Ramírez, G. (1999) An improved program for molecular calculations with B functions. Journal of molecular structure. Theochem : J. Mol. Struct. (Theochem) 490, pp. 201-217. Fulltext not available.

Homeier, H. H. H. (1999) Convergence Acceleration of Logarithmically Convergent Series Avoiding Summation. Applied Mathematics Letters 12, pp. 29-32.

Homeier, H. H. H. (1999) Transforming Logarithmic to Linear Convergence by Interpolation. Applied Mathematics Letters 12, pp. 13-17.

1998

Homeier, H. H. H. (1998) An Asymptotically Hierarchy-consistent Iterative Sequence Transformation for Convergence Acceleration of Fourier Series. Numerical Algorithms 18, pp. 1-30. Fulltext not available.

Homeier, H. H. H.

(1998) On Convergence Acceleration of Multipolar and Orthogonal Expansions. In: 4th Electronic Computational Chemistry Conference, 1998, Internet.

Homeier, H. H. H. (1998) On the Stability of the J Transformation. Numerical algorithms 17, pp. 223-239. Fulltext not available.

Homeier, H. H. H.

(1998) The vector J extrapolation method. In: Wang, Junping and Allen, Myron B. and Chen, Benito M. and Mathew, Tarek, (eds.) Iterative Methods in Scientific Computation. Proceedings of the Third IMACS International Symposium on Iterative Methods in Scientific Computation Jackson Hole, Wyoming, USA-July 9-12, 1997. IMACS Series in Computational and Applied Mathematics, 4. IMACS, New Brunswick,NJ/USA, pp. 375-380. Fulltext not available.

1997

Homeier, H. H. H.

(1997) Extended Complex Series Methods for the Convergence Acceleration of Fourier Series. Technical Report. (Unpublished)

Homeier, H. H. H. (1997) Mehrreihen-Pi-Verfahren am Beispiel anharmonischer Oszillatoren. In: 33. Symposium für Theoretische Chemie, Köln-Walberberg, Germany. (Unpublished)

Homeier, H. H. H. (1997) On an Extension of the Complex Series Method for the Convergence Acceleration of Orthogonal Expansions. Technical Report. (Unpublished)

Homeier, H. H. H. (1997) The size-extensivity of correlation energy estimators based on effective characteristic polynomials. Journal of molecular structure . Theochem : J. Mol. Struct. (Theochem) 419, pp. 29-31. Fulltext not available.

1996

Homeier, H. H. H. (1996) Analytical and numerical studies of the convergence behavior of the J transformation. Journal of Computational and Applied Mathematics 69, pp. 81-112. Fulltext not available.

Homeier, H. H. H. and Steinborn, E. O. (1996) Comment on: A Gaussian quadrature for the optimal evaluation of integrals involving Lorentzians over a semi-infinite interval. Computer Physics Communications 99 (1), pp. 77-80. Fulltext not available.

Homeier, H. H. H. (1996) Correlation Energy Estimators based on Møller-Plesset Perturbation Theory. Journal of molecular structure. Theochem : J. Mol. Struct. (Theochem) 366, pp. 161-171. Fulltext not available.

Homeier, H. H. H. (1996) Extrapolationsverfahren für Zahlen-, Vektor- und Matrizenfolgen und ihre Anwendung in der Theoretischen und Physikalischen Chemie. Habilitation, Universität Regensburg.

Homeier, H. H. H.

(1996) METHODS FOR THE CONSTRUCTION OF EXTRAPOLATION PROCESSES. In: Fifth International Colloquium on Numerical Analysis, August 13-17, 1996, Plovdiv, Bulgaria. (Unpublished)

Homeier, H. H. H. (1996) On Convergence Acceleration for the Iterative Solution of the Inverse Dyson Equation. Journal of molecular structure . Theochem : J. Mol. Struct. (Theochem) 368, pp. 81-91. Fulltext not available.

Homeier, H. H. H. and Steinborn, E. O. (1996) Some Properties of the Coupling Coefficients of Real Spherical Harmonics and Their Relation to Gaunt Coefficients. Journal of molecular structure . Theochem : J. Mol. Struct. (Theochem) 368, pp. 31-37. Fulltext not available.

Homeier, H. H. H. (1996) Zur Konvergenzverbesserung der Møller-Plesset Störungsreihe (Engl.: On Convergence Acceleration of the Møller-Plesset Perturbation Series). Technical Report, Universität Regensburg. (Unpublished) Fulltext not available.

1995

Maslov, I. V., Homeier, H. H. H. and Steinborn, E. O. (1995) Calculation of Multicenter Electron Repulsion Integrals in Slater-Type Basis Sets Using the Sigma-Separation Method. International Journal of Quantum Chemistry 55 (1), pp. 9-22. Fulltext not available.

Homeier, H. H. H. (1995) Determinantal representations for the J transformation. Numerische Mathematik 71 (3), pp. 275-288. Fulltext not available.

Homeier, H. H. H., Rast, S. and Krienke, H. (1995) Iterative Solution of the Ornstein-Zernike Equation with Various Closures Using Vector Extrapolation. Computer Physics Communications 92, pp. 188-202. Fulltext not available.

Homeier, H. H. H. and Weniger, E. J. (1995) On Remainder Estimates for Levin-type Sequence Transformations. Computer Physics Communications 92, pp. 1-10. Fulltext not available.

Homeier, H. H. H. and Dick, B. (1995) Zur Berechnung der Linienform spektraler Löcher (Engl.: On the computation of the line shape of spectral holes). Technical Report, Universität Regensburg. Fulltext not available.

1994

Homeier, H. H. H.

(1994) A hierarchically consistent, iterative sequence transformation. Numerical algorithms 8, pp. 47-81. Fulltext not available.

Homeier, H. H. H. (1994) Nonlinear convergence acceleration for orthogonal series. In: Gruber, Ralf and Tomassini, Marco, (eds.) Physics computing '94: proceedings of the 6th Joint EPS-APS International Conference on Physics Computing, Palazzo dei Congressi, Lugano, Switzerland, 22 - 26 August 1994. European Physical Society, Genf, Schweiz, pp. 47-50. ISBN 2-88270-011-3.

Homeier, H. H. H.

(1994) On the computation of functions of matrices. In: First Electronic Computational Chemistry Conference, 1994, Internet.

1993

Homeier, H. H. H. and Steinborn, E. O. (1993) Programs for the evaluation of nuclear attraction integrals with B Functions. Computer Physics Communications 77, pp. 135-151. Fulltext not available.

Homeier, H. H. H. (1993) Some Applications of Nonlinear Convergence Accelerators. International Journal of Quantum Chemistry 45, pp. 545-562. Fulltext not available.

1992

Homeier, H. H. H.

(1992) A Levin-type algorithm for accelerating the convergence of Fourier Series. Numerical algorithms 3, pp. 245-254. Fulltext not available.

Homeier, H. H. H. and Steinborn, E. O. (1992) Improved Quadrature Methods for the Fourier Transform of a Two-Center Product of Exponential-Type Basis Functions. International Journal of Quantum Chemistry 41, pp. 399-411. Fulltext not available.

Perevozchikov, V. I., Maslov, I. V., Niukkanen, A. W., Homeier, H. H. H. and Steinborn, E. O. (1992) On the Combination of Two Methods for the Calculation of Multicenter Integrals Using STO and B Function Basis
Sets. Int. J. Quantum Chem. 44, pp. 45-57. Fulltext not available.

Homeier, H. H. H. and Steinborn, E. O. (1992) On the Evaluation of Overlap Integrals with Exponential-type Basis Functions. International Journal of Quantum Chemistry 42, pp. 761-778. Fulltext not available.

Homeier, H. H. H., Weniger, E. J. and Steinborn, E. O. (1992) Programs for the Evaluation of Overlap Integrals with B Functions. Computer Physics Communications 72, pp. 269-287. Fulltext not available.

Homeier, H. H. H., Weniger, E. J. and Steinborn, E. O. (1992) Simplified Derivation of a One-range Addition Theorem of the Yukawa Potential. International Journal of Quantum Chemistry 44, pp. 405-411. Fulltext not available.

1991

Homeier, H. H. H. and Steinborn, E. O. (1991) Improved Quadrature Methods for Three-Center Nuclear Attraction Integrals with Exponential-Type Basis Functions. International Journal of Quantum Chemistry 39, pp. 625-645. Fulltext not available.

1990

Homeier, H. H. H. (1990) Integraltransformationsmethoden und Quadraturverfahren für Molekülintegrale mit B-Funktionen. Theorie und Forschung, 121. S. Roderer Verlag, Regensburg. ISBN 3-89073-482-0.

Homeier, H. H. H. and Steinborn, E. O. (1990) Numerical Integration of Functions with a Sharp Peak at or near One Boundary Using Möbius Transformations. Journal of Computational Physics 87, pp. 61-72. Fulltext not available.

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