Зарегистрироваться
Восстановить пароль
FAQ по входу

Duarte F., Kamerlin S.C.L. (Eds.) Theory and Applications of the Empirical Valence Bond Approach: From Physical Chemistry to Chemical Biology

  • Файл формата pdf
  • размером 6,28 МБ
  • Добавлен пользователем
  • Отредактирован
Duarte F., Kamerlin S.C.L. (Eds.) Theory and Applications of the Empirical Valence Bond Approach: From Physical Chemistry to Chemical Biology
JohnWiley & Sons Ltd., 2017. — 270 p. — ISBN: 1119245397.

A comprehensive overview of current empirical valence bond (EVB) theory and applications, one of the most powerful tools for studying chemical processes in the condensed phase and in enzymes.
Discusses the application of EVB models to a broad range of molecular systems of chemical and biological interest, including reaction dynamics, design of artificial catalysts, and the study of complex biological problems
Edited by a rising star in the field of computational enzymology
Foreword by Nobel laureate Arieh Warshel, who first developed the EVB approach
Contents
Modelling Chemical Reactions Using Empirical Force Fields
Introduction to the Empirical Valence Bond Approach
Using Empirical Valence Bond Constructs as Reference Potentials For High-Level Quantum Mechanical Calculations
Empirical Valence Bond Methods for Exploring Reaction Dynamics in the Gas Phase and in Solution
Empirical Valence-BondModels Based on Polarizable Force Fields for Infrared Spectroscopy
Empirical Valence Bond Simulations of Biological Systems
The Empirical Valence Bond Approach as a Tool for Designing Artificial Catalysts
EVB Simulations of the Catalytic Activity of Monoamine Oxidases: From Chemical Physics to Neurodegeneration
  • Чтобы скачать этот файл зарегистрируйтесь и/или войдите на сайт используя форму сверху.
  • Регистрация