Cooperativity in hydrogen bonded aggregates. Models for crystals and peptides

被引:71
作者
Dannenberg, JJ
机构
[1] CUNY Hunter Coll, Dept Chem, New York, NY 10021 USA
[2] CUNY, Grad Sch, New York, NY 10021 USA
关键词
hydrogen-bond; cooperativity; molecular orbital; ab initio; electric field;
D O I
10.1016/S0022-2860(02)00220-X
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
This paper provides a review of our work that emphasizes the importance of cooperative interactions (and the consequent failure of pairwise models) to explain hydrogen-bonding interactions in the solid state and peptides. The details of the calculations have been omitted for the sake of brevity. They can be found in the primary references to several aspects of. this presentation. The systems specifically discussed include aggregates of: (a) water (b) cyclohexane-1,3-dione, (c) urea and thiourea, (d) para-benzoquinone; and (d) formamide. (C) 2002 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:219 / 226
页数:8
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