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Journal of Computational Chemistry|September 6, 2002
Effective Born radii in the generalized Born approximation: the importance of being perfectAlexey Onufriev, David A Case, Donald BashfordJournal of Computational Chemistry|September 6, 2002
Direct ab initio dynamics study on the rate constants and kinetic isotope effect for the reactions of H atoms with GeDn(CH3)4-n (n = 1-4)Yang Wu, Yi-Hong Ding, Jing-Fa Xiao, et al.Journal of Computational Chemistry|September 5, 2002
Carbohydrate solution simulations: producing a force field with experimentally consistent primary alcohol rotational frequencies and populationsMichelle Kuttel, J W Brady, Kevin J NaidooJournal of Computational Chemistry|September 5, 2002
Mechanistic aspects of the dehydration and dehydrohalogenation of halo-hydroxyformaldoxime conformers. A quantum chemical model studyAthanassios C Tsipis, Constantinos A TsipisJournal of Computational Chemistry|September 5, 2002
Binding of D- and L-captopril inhibitors to metallo-beta-lactamase studied by polarizable molecular mechanics and quantum mechanicsJens Antony, Nohad Gresh, Lars Olsen, et al.Journal of Computational Chemistry|February 21, 2003
Electrostatic potentials and covalent radiiPeter Politzer, Jane S Murray, Pat LaneJournal of Computational Chemistry|February 21, 2003
Rational determination of charge distributions for free energy calculationsChristophe ChipotJournal of Computational Chemistry|February 21, 2003
Application of the quantum theory of atoms in molecules to selected physico-chemical and biophysical problems: focus on correlation with experimentChérif F MattaJournal of Computational Chemistry|January 28, 2003
Correlation method for variance reduction of Monte Carlo integration in RS-HDMRGenyuan Li, Herschel Rabitz, Sheng-Wei Wang, et al.Journal of Computational Chemistry|January 28, 2003
Electrostatic component of solvation: comparison of SCRF continuum modelsCarles Curutchet, Christopher J Cramer, Donald G Truhlar, et al.Pageof 598