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Calculations of the conformational properties of acyclonucleosides: Part 2. Comparison of active and nonactive compounds Wesolowski, Tomasz Adam; Godzik, A.; Geller, M. 1988
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Animation: a useful tool for protein molecular dynamicists, applied to hydrogen bonds in the active site of elastase Swanson, Stanley M.; Wesolowski, Tomasz Adam; Geller, Maciej; Meyer, Edgar F. 1989
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Organization of polar groups of 9 kd calbindin around Ca2+ ions bound to the protein: a microdielectric study Wesolowski, Tomasz Adam; Boguta, Grzegorz; Bierzynski, Andrzej 1990
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Estimation of free energy systematic errors of globular proteins surrounded by finite water clusters Wesolowski, Tomasz Adam 1991
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A Discrete vs. Continuum Model of Electronic Polarization in Proteins Wesolowski, Tomasz Adam 1991
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Quantum-mechanical calculations of solvation free energies. A combined ab initio pseudopotential free-energy perturbation approach Vaidehi, N.; Wesolowski, Tomasz Adam; Warshel, Arieh 1992
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Frozen Density Functional Approach for ab-initio Calculations of Solvated Molecules Wesolowski, Tomasz Adam; Warshel, Arieh 1993
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Ab Initio free Energy Perturbation Calculations of Solvation Free Energy Using Frozen Density Functional Approach Wesolowski, Tomasz Adam; Warshel, Arieh 1994
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Accuracy of approximate kinetic energy functionals in the model of Kohn-Sham equations with constrained electron density : the FH···NCH complex as a test case Wesolowski, Tomasz Adam; Chermette, Henry; Weber, Jacques 1996
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Kohn-Sham equations with constrained electron density : an iterative evaluation of the ground-state electron density of interacting molecules Wesolowski, Tomasz Adam; Weber, Jacques 1996
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Ab-initio Frozen Density Functional Calculations of Proton Transfer Reactions in Solution Wesolowski, Tomasz Adam; Muller, Richard P.; Warshel, Arieh 1996
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Calculations of chemical processes in solution by density-functional and other quantum-mechanical techniques Muller, Richard P.; Wesolowski, Tomasz Adam; Warshel, Arieh 1997
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Comparative study of benzene··· X (X = O2, N2, CO) complexes using density functional theory : the importance of an accurate exchange-correlation energy density at high reduced density gradients Wesolowski, Tomasz Adam; Parisel, Olivier; Ellinger, Yves; Weber, Jacques 1997
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Density Functional Theory with approximate kinetic energy functionals applied to hydrogen bonds Wesolowski, Tomasz Adam 1997
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Kohn-Sham equations with constrained electron density : the effect of various kinetic energy functional parametrizations on the ground state molecular properties Wesolowski, Tomasz Adam; Weber, Jacques 1997
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Theoretical study of the physisorption of CO on metal oxide surfaces using the KSCED-DFT approach Vulliermet, Nathalie; Wesolowski, Tomasz Adam; Weber, Jacques 1998
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Density functional theory with an approximate kinetic energy functional applied to study structure and stability of weak van der Waals complexes Wesolowski, Tomasz Adam; Ellinger, Yves; Weber, Jacques 1998
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Study of the physisorption of CO on the MgO(110) surface using the approach of Kohn-Sham equations with constrained electron density Wesolowski, Tomasz Adam; Vulliermet, Nathalie; Weber, Jacques 1998
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Application of the DFT based embedding scheme using explicit functional of the kinetic energy to determine the spin-density of Mg+ embedded in Ne and Ar matrices Wesolowski, Tomasz Adam 1999
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Constraining the Electron Densities in DFT Method as an Effective Way for Ab Initio Studies of Metal-Catalyzed reactions Hong, Gongyi; Strajbl, Marek; Wesolowski, Tomasz Adam; Warshel, Arieh 2000
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