Parity-violating energy of D-glyceraldehyde

被引：1

作者：

Kikuchi, O ^{[1
]}

Kitayama, T ^{[1
]}

Watanabe, T ^{[1
]}

Takahashi, O ^{[1
]}

Morihashi, K ^{[1
]}

机构：

[1] Univ Tsukuba, Dept Chem, Tsukuba, Ibaraki 3058571, Japan

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2002年 / 579卷

关键词：

parity; violating energy; D-glyceraldehyde; spin-orbit coupling;

D O I：

10.1016/S0166-1280(01)00725-4

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：

Parity-violating interaction energy (E-pv) of D-glyceraldehyde was calculated by using the spin-orbit coupling SCF wave-function and the 5s2p basis set. The E-pv value was negative for most of the low-energy conformations of D-glyceraldehyde, suggesting that D-glyceraldehyde is more stable than L-glyceraldehyde due to the parity-violating weak neutral current interaction. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：147 / 150

页数：4

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