THEORETICAL-STUDY OF THE UV SPECTRUM OF ACETYLENE .1. ABINITIO CALCULATION OF SINGLET ELECTRONIC STATES OF ACETYLENE BY A LARGE-SCALE CI METHOD

被引：64

作者：

PERIC, M

BUENKER, RJ

PEYERIMHOFF, SD

机构：

[1] UNIV GESAMTHSCH WUPPERTAL, LEHRSTUHL THEORET CHEM, D-5600 WUPPERTAL 1, GERMANY

[2] UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, GERMANY

来源：

MOLECULAR PHYSICS | 1984年 / 53卷 / 05期

关键词：

D O I：

10.1080/00268978400102931

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：

引用

页码：1177 / 1193

页数：17

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