Molecular similarity and reactivity : from quantum chemical to phenomenological approaches

＜図書＞
Molecular similarity and reactivity : from quantum chemical to phenomenological approaches

責任表示	edited by Ramon Carbó
シリーズ	Understanding chemical reactivity ; v. 14
データ種別	図書
出版情報	Dordrecht ; Boston : Kluwer Academic , c1995
本文言語	英語
大きさ	vii, 321 p. : ill. ; 25 cm
概要	Discusses the similarity between molecules from the whole range of perspectives from rigorous quantum chemical approaches to phenomenological observations expressed within appropriate physical and mat...ematical frameworks. The emphasis is on the relationship between physical similarity and similarity of reactivity, important in drug design and molecular engineering. The topics include momentum space, electron density approximations, shape descriptors, three-dimensional modelling in computational drug design, predicting and classifying resonance and inductive effects of substituents, a graph theoretical approach, substructure electronic similarity, and topological fragment spectra. Of interest to researchers in fundamental and applied chemistry. Annotation copyright by Book News, Inc., Portland, OR続きを見る

状態	巻次	所蔵場所	請求記号	刷年	文庫名称	資料番号	コメント	予約・取寄	複写申込	自動書庫
		理系図自動書庫	431.1/C 16/54960534	1995		054211996005343		予約・取寄		出庫可能	予約・取寄		出庫可能

一般注記	Includes bibliographical references and index
著者標目	Carbó, Ramón
件　名	LCSH:Molecular structure LCSH:Similarity (Physics) LCSH:Reactivity (Chemistry)
分　類	LCC:QD461 DC20:541.2/2
書誌ID	1000007960
ISBN	0792333098
NCID	BA2560025X
巻冊次	ISBN:0792333098
登録日	1997.03.04
更新日	1997.03.04