Authors:Gábor Náray-Szabó, Arieh Warshel,
Publisher: Springer
Keywords: reactivity, understanding, chemical, biochemical, approaches, computational
Number of Pages: 392
Published: 2002-03-31
List price: $83.95
ISBN-10: 140200415X
ISBN-13: 9781402004155

This book summarises recent results in the rapidly developing discipline of the computational aspects of biochemical reactivity. It presents a comprehensive and critical treatise on the subject, with numerous references covering practically all relevant and recent work. The chapters, written by eminent experts in the field, deal with quantum mechanical models for reactions in solution, ab initio molecular orbital studies on enzymatic reactions, combined quantum-classical models for proteins, force field approaches for modelling enzymes, electrostatic effects in proteins, electrostatic basis of

Authors:Orlando Tapia, Juan Bertrán,
Publisher: Springer
Keywords: reactivity, chemical, understanding, effects, solvent
Number of Pages: 392
Published: 1996-07-31
List price: $271.00
ISBN-10: 0792339959
ISBN-13: 9780792339953

This book presents an up-to-date view of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. Subjects treated include continuum solvation models, the theoretical basis for the treatment of solvent effects in density functional theory, Monte Carlo simulations of chemical reactions in solution, DFT molecular dynamics simulations, crossing the transition state in solution, valence bond multi-state approach to chemical reactions in solution, quantum theory of solvent effects and chemical reactions. The approaches taken as well as the

Authors:Orlando Tapia, Juan Bertrán,
Publisher: Springer
Keywords: reactivity, chemical, understanding, effects, solvent
Number of Pages: 392
Published: 2003-07-31
List price: $79.95
ISBN-10: 1402004176
ISBN-13: 9781402004179

This book presents an up-to-date view of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. Subjects treated include continuum solvation models, the theoretical basis for the treatment of solvent effects in density functional theory, Monte Carlo simulations of chemical reactions in solution, DFT molecular dynamics simulations, crossing the transition state in solution, valence bond multi-state approach to chemical reactions in solution, quantum theory of solvent effects and chemical reactions. The approaches taken as well as the resulti

Author: Pieter E. Schipper
Publisher: World Scientific Pub Co Inc
Keywords: reactivity, chemical, topology, symmetry
Number of Pages: 300
Published: 1994-07
List price: $100.00
ISBN-10: 9810215428
ISBN-13: 9789810215422

Using only the ideas of basic quantum chemistry, such as perturbation theory, this book develops the concept of chemical reactivity at a fundamental and analytical theoretical level.

Author: Scott Sonnon
Publisher: Aarmacs Inc
Keywords: reactivity, freedom, flow
Number of Pages: 176
Published: 2003-05
List price: $24.95
ISBN-10: 0971794936
ISBN-13: 9780971794931

Armed with the insights of Body Flow, you can get it back. You can keep up with a 10 year old. You can hop a fence or roll around on the ground for fun. You can ‘bust a move’ on your friends and be free of joint pain. All it takes is one small choice, one tiny decision. All you need to do is be willing to try a few fun and easy to understand moves that will wake your body up from years of slumber, grant it freedom from the emotional armoring you have trapped your natural movement in, what Coach Sonnon calls Fear-Reactivity. Unless you live completely free of fear in all area

Authors:J. G. Hoggett, R. B. Moodie, J. R. Penton, K. Schofie
Publisher: Cambridge University Press
Keywords: reactivity, aromatic, nitration
Number of Pages: 254
Published: 1971-07-02
List price: unknow
ISBN-10: 0521080290
ISBN-13: 9780521080293

First published in 1971 this volume claims that nitration is important for two reasons. First, because it is the most general process for the preparation of aromatic nitro-compounds, and secondly, on account of the part it has played in the development of theoretical organic chemistry. The special concern of this monograph is with those nitrating systems in which mechanistic studies have established, or made probable, the identity of the agent through which they effect nitration. It presents a summary of the understanding of the nitration process. A discussion of the various types of nitrating

Author: Paul G. Mezey
Publisher: Springer
Keywords: chemical, reactivity, understanding, chirality, developments, molecular, new
Number of Pages: 304
Published: 1991-01-31
List price: $224.00
ISBN-10: 0792310217
ISBN-13: 9780792310211