滿額折
Reviews In Computational Chemistry, Vol. 2
商品資訊
定價
：NT$ 16333 元優惠價
：90 折 14700 元
若需訂購本書，請電洽客服 02-25006600[分機130、131]。
相關商品
商品簡介
作者簡介
目次
商品簡介
This second volume of the series 'Reviews in Computational Chemistry' explores new applications, new methodologies, and new perspectives. The topics covered include conformational analysis, protein folding, force field parameterizations, hydrogen bonding, charge distributions, electrostatic potentials, electronic spectroscopy, molecular property correlations, and the computational chemistry literature. Methodologies described include conformational search strategies, distance geometry, molecular mechanics, molecular dynamics, ab initio and semiempirical molecular orbital calculations, and quantitative structure-activity relationships (QSAR) using topological and electronic descriptors.
A compendium of molecular modeling software will help users select the computational tools they need. Each chapter in 'Reviews in Computational Chemistry' serves as a brief tutorial for organic, physical, pharmaceutical, and biological chemists new to the field. Practitioners will be interested in the recent advances.
A compendium of molecular modeling software will help users select the computational tools they need. Each chapter in 'Reviews in Computational Chemistry' serves as a brief tutorial for organic, physical, pharmaceutical, and biological chemists new to the field. Practitioners will be interested in the recent advances.
作者簡介
Kenny B. Lipkowitz, PhD, is a retired Professor of Chemistry from North Dakota State University.
Donald B. Boyd was apponted Research Professor of Chemistry at Indiana University - Purdue University Indianapolis in 1994. He has published over 100 refereed journal papers and book chapters.
目次
A Survey of Methods for Searching thr Conformational Space of Small and Medium-Sized Molecules (A. Leach).
Simplified Models for Understanding and Predicting Protein Structure (J. Troyer and F. Cohen).
Moleculaar Mechanics: The Art and Science of Parameterization (J. Bowen and N. Allinger).
New Approaches to Empirical Force Fields (U. Dinur and A. Hagler).
Calculating the Properties of Hydrogen Bonds by ab Initio Methods (S. Scheiner).
Net Atomic Charge and Multiple Models for the ab Initio Molecular Electric Potential (D. Williams).
Molecular Electrostatic Potentials and Chemical Reactivity (P. Politzer and J. Murray).
Semiempirical Molecular Orbital Methods (M. Zerner).
The Molecular Connectivity Chi Indexes and Kappa Shape Indexes in Structure-Property Modeling (L. Hall and L. Kier).
The Electron-Topological Approach to the QSAR Problem (I. Bersuker and A. Dimoglo).
The Computational Chemistry Literature (D. Boyd).
Appendix: Compendium of Software for Molecular Modeling (D. Boyd).
Author Index.
Subject Index.
Simplified Models for Understanding and Predicting Protein Structure (J. Troyer and F. Cohen).
Moleculaar Mechanics: The Art and Science of Parameterization (J. Bowen and N. Allinger).
New Approaches to Empirical Force Fields (U. Dinur and A. Hagler).
Calculating the Properties of Hydrogen Bonds by ab Initio Methods (S. Scheiner).
Net Atomic Charge and Multiple Models for the ab Initio Molecular Electric Potential (D. Williams).
Molecular Electrostatic Potentials and Chemical Reactivity (P. Politzer and J. Murray).
Semiempirical Molecular Orbital Methods (M. Zerner).
The Molecular Connectivity Chi Indexes and Kappa Shape Indexes in Structure-Property Modeling (L. Hall and L. Kier).
The Electron-Topological Approach to the QSAR Problem (I. Bersuker and A. Dimoglo).
The Computational Chemistry Literature (D. Boyd).
Appendix: Compendium of Software for Molecular Modeling (D. Boyd).
Author Index.
Subject Index.
您曾經瀏覽過的商品
購物須知
外文書商品之書封，為出版社提供之樣本。實際出貨商品，以出版社所提供之現有版本為主。部份書籍，因出版社供應狀況特殊，匯率將依實際狀況做調整。
無庫存之商品，在您完成訂單程序之後，將以空運的方式為你下單調貨。為了縮短等待的時間，建議您將外文書與其他商品分開下單，以獲得最快的取貨速度，平均調貨時間為1~2個月。
為了保護您的權益，「三民網路書店」提供會員七日商品鑑賞期(收到商品為起始日)。
若要辦理退貨，請在商品鑑賞期內寄回，且商品必須是全新狀態與完整包裝(商品、附件、發票、隨貨贈品等)否則恕不接受退貨。