Solvent effects and chemical reactivity
- نوع فایل : کتاب
- زبان : انگلیسی
- مؤلف : Orlando Tapia; J Bertrán
- ناشر : New York : Kluwer Academic Publishers
- چاپ و سال / کشور: 2002
- شابک / ISBN : 9780306469312
Description
TABLE OF CONTENTS PREFACE vii C. J. CRAMER AND D. G. TRUHLAR / Continuum Solvation Models 1 R. CONTRERAS, P. PÉREZ, A. AIZMAN / Theoretical Basis for the Treatment of Solvent Effects in the Context of Density Functional Theory 81 A. GONZÁLEZ-LAFONT, J. M. LLUCH, J. BERTRÁN / Monte Carlo Simulations of Chemical Reactions in Solution 125 G. CORONGIU, D. A. ESTRIN, L. PAGLIERI / Computer Simulation for Chemical Systems: From Vacuum to Solution 179 J. T. HYNES / Crossing the Transition State in Solution 231 R. BIANCO AND J. T. HYNES / Valence Bond Multistate Approach to O. TAPIA, J. ANDRÉS AND F. L. M. G. STAMATO / Quantum Theory of Chemical Reactions in Solution 259 Solvent Effects and Chemical Reactions 283 INDEX 363
