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Number of items at this level: 78.

Article

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

Megerle, U. and Wenninger, M. and Kutta, Roger J. and Lechner, Robert and Dick, Bernhard and 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.

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.

Kozhevnikov, D. N. and Kozhevnikov, V. N. and Ustinova, M. M. and Santoro, A. and Bruce, D. W. and König, Burkhard and Czerwieniec, R. and Fischer, T. and 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.

Svoboda, J. and König, B. and Sadeghian, K. and Schütz, M. (2008) 2´-Oxoethyl Flavin Revisited. Z. Naturforsch. 63b, 47 - 54.

Simonin, Jean-Pierre and Bernard, Olivier and 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.

Vrbka, Luboš and Jungwirth, Pavel and Bauduin, Pierre and 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.

Tomšič, Matija and Bešter-Rogač, Marija and Jamnik, Andrej and Kunz, Werner and Touraud, Didier and 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.

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

Bauduin, Pierre and Nohmie, Fawaz and Touraud, Didier and Neueder, Roland and 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.

Nasirzadeh, Karamat and 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.

Voinescu, Alina E. and Kellermeier, Matthias and Carnerup, Anna M. and Larsson, Ann-Kristin and Touraud, Didier and 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)

Voinescu, Alina E. and Kellermeier, Matthias and Carnerup, Anna M. and Larsson, Ann-Kristin and Touraud, Didier and 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)

Simonin, Jean-Pierre and 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)

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)

Wahab, Abdul and Mahiuddin, Sekh and 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)

Eljaouhari, Ahmed A. and Müller, Rainer and Kellermeier, Matthias and Heckmann, Klaus and Kunz, Werner (2006) New Anisitropic Ceramic Materials from Chemically Fixed Dissipative Structures. Langmuir. (Submitted)

Minofar, Babak and Wahab, Abdul and Mahiuddin, Sekh and 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)

Queste, Sébastien and Bauduin, Pierre and Touraud, Didier and Kunz, Werner and Aubry, Jean-Marie (2006) Short Chain Glycerol 1-Monoethers – a New Class of Green Solvo-Surfactants, Green Chemistry. Green Chemistry. (Submitted)

Voinescu, Alina and Bauduin, Pierre and Pinna, M. Cristina and Touraud, Didier and 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.

Kunz, Werner (2006) Specific ion effects in liquids, in biological systems and at interfaces. Pure and applied chemistry. (In Press)

Renoncourt, A. and Vlachy, N. and Bauduin, P. and Nicholl, E. and Touraud, D. and Verbavatz, J. M. and Dubois, M. and Drechsler, M. and Kunz, W. (2006) Spontaneous Vesicle Formation of an Industrial Single Chain Surfactant at Acidic pH and at Room Temperature. ChemPhysChem. (Submitted)

Seitz, Michael and Stempfhuber, Sabine and Zabel, Manfred and 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.

Homeier, H. H. H. (2005) On Newton-type Methods with Cubic Convergence. Journal of Computational and Applied Mathematics 176, pp. 425-432.

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.

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.

Homeier, H. H. H. (2003) A modified Newton method for root finding with cubic convergence. Journal of Computational and Applied Mathematics 157, pp. 227-230.

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.

Homeier, H. H. H. (2000) On the Extrapolation of Perturbation Series. Acta Applicandae Mathematicae 61 (1/3), pp. 133-147.

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.

Steinborn, E. O. and Homeier, H. H. H. and Fernández Rico, J. and Ema, I. and 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.

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.

Homeier, H. H. H. (1998) An Asymptotically Hierarchy-consistent Iterative Sequence Transformation for Convergence Acceleration of Fourier Series. Numerical Algorithms 18, pp. 1-30.

Homeier, H. H. H. (1998) On the Stability of the J Transformation. Numerical algorithms 17, pp. 223-239.

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.

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.

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.

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.

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.

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.

Maslov, I. V. and 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.

Homeier, H. H. H. (1995) Determinantal representations for the J transformation. Numerische Mathematik 71 (3), pp. 275-288.

Homeier, H. H. H. and 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.

Homeier, H. H. H. and Weniger, E. J. (1995) On Remainder Estimates for Levin-type Sequence Transformations. Computer Physics Communications 92, pp. 1-10.

Homeier, H. H. H. (1994) A hierarchically consistent, iterative sequence transformation. Numerical algorithms 8, pp. 47-81.

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.

Homeier, H. H. H. (1993) Some Applications of Nonlinear Convergence Accelerators. International Journal of Quantum Chemistry 45, pp. 545-562.

Homeier, H. H. H. (1992) A Levin-type algorithm for accelerating the convergence of Fourier Series. Numerical algorithms 3, pp. 245-254.

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.

Perevozchikov, V. I. and Maslov, I. V. and Niukkanen, A. W. and 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.

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.

Homeier, H. H. H. and 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.

Homeier, H. H. H. and 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.

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.

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.

Book Section

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.

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) Paper 53. On the computation of functions of matrices. In: Bachrach, S. M. and Hase, W. and Boyd, D. B. and Rzepa, H. S. and Gray, S. K., (eds.) Proceedings of the First Electronic Computational Chemistry Conference. CD-ROM (ARI-CD 101) (Paper 53). ARInternet Corporation, Landover, MD, no pp given.

Monograph

Homeier, H. H. H. (1997) Extended Complex Series Methods for the Convergence Acceleration of Fourier Series. UNSPECIFIED. (Unpublished)

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

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)

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.

Conference or Workshop Item

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

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)

Book

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.

Thesis of the University of Regensburg

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

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

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

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

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

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

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

Thesis

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

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