TRANSFERABILITY OF DIPOLE-MOMENT DERIVATIVES - CALCULATION OF ABSOLUTE ROTATIONAL CONTRIBUTIONS FOR SYMMETRICAL MOLECULES

被引：9

作者：

BODE, JHG ^{[1
]}

SMIT, WMA ^{[1
]}

VANSTRATEN, AJ ^{[1
]}

机构：

[1] UNIV UTRECHT,ANALYT CHEM LAB,NL-3522 AD UTRECHT,NETHERLANDS

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1979年 / 75卷 / 03期

关键词：

D O I：

10.1016/0022-2852(79)90092-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

It is shown that Polo's method for the calculation of the D-1 and G-1 matrices can be extended to the calculation of the absolute rotational contributions involved in the molecular dipole moment derivatives in terms of symmetry coordinates. The method applies to both stretching and bending modes. The method is outlined for AB3 (C3v) molecules. © 1979.

引用

页码：478 / 484

页数：7

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