AB-INITIO SCF INVESTIGATION OF THE POTENTIAL-ENERGY SURFACE OF 4-AMINOBUTANOL

被引：0
|
作者：
KELTERER, AM
RAMEK, M
机构：
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1993年
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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：
Results of an ab initio SCF (4-31G) study of the potential energy surface of 4-aminobutanol are reported. Four different intramolecular hydrogen bonds are present in the various minima: N...H-O, N-H...O, C-4-H...O, N...H-C-1. These interactions are discussed and compared with those present in the homologues 3-aminopropanol and 2-aminoethanol. (C) 1993 John Wiley & Sons, Inc.
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页码：479 / 490
页数：12
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