The Hydrolysis Mechanism of Formamide Revisited: Comparison Between ab initio, Semiempirical and DFT Results

被引：0
|
作者：
Serge Antonczak
Manuel Ruiz-López
Jean-Louis Rivail
机构：
[1] Laboratoire de Chimie Théorique,
[2] URA CNRS 510,undefined
[3] Institut Nancéien de Chimie Moléculaire,undefined
[4] Université Henri Poincaré,undefined
[5] Nancy I. BP 239,undefined
[6] F-54506 Vand_uvre-lès-Nancy Cedex,undefined
[7] France; Tel. +33-3-8391-2527; Fax: +33-3-8391-2530 (ruiz@lctn.u-nancy.fr),undefined
来源：
Molecular modeling annual | 1997年 / 3卷
关键词：
Keywords: Amides; Hydrolysis; Reaction mechanism; Peptides; Theoretical calculations;
D O I：
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中图分类号：
学科分类号：
摘要：
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页码：434 / 442
页数：8
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