Hydrogen bonding : a theoretical perspective

＜図書＞
Hydrogen bonding : a theoretical perspective

責任表示	Steve Scheiner
シリーズ	Topics in physical chemistry / series editor, Donald G. Truhlar
データ種別	図書
出版情報	New York : Oxford University Press , 1997
大きさ	xix, 375 p. ill. ; 25 cm
概要	Because of the importance of the hydrogen bond, there have been scores of insights gained about its fundamental nature by quantum chemical computations over the years. Such methods can probe subtle c...aracteristics of the electronic structure and examine regions of the potential energy surface that are simply not accessible by experimental means. The maturation of the techniques, codes, and computer hardware have permitted calculations of unprecedented reliability and rivaling the accuracy of experimental data. This book strives first toward an appreciation of the power of quantum chemistry to analyze the deepest roots of the hydrogen bond phenomenon. It offers a systematic and understandable account of decades of such calculations, focusing on the most important findings. This book provides readers with the tools to understand the original literature, and to perhaps carry out some calculations of their very own on systems of interest. 続きを見る

一般注記	Includes bibliographical references and index
著者標目	*Scheiner, Steve
件　名	LCSH:Hydrogen bonding LCSH:Quantum chemistry
分　類	LCC:QD461 DC21:541.2/26
書誌ID	1000487727
ISBN	019509011X
NCID	BA32551132
巻冊次	ISBN:019509011X
登録日	2009.09.14
更新日	2009.09.16