COMBINATION OF THEORETICAL ABINITIO AND EXPERIMENTAL INFORMATION TO OBTAIN RELIABLE HARMONIC FORCE-CONSTANTS - SCALED QUANTUM-MECHANICAL (SQM) FORCE-FIELDS FOR GLYOXAL, ACROLEIN, BUTADIENE, FORMALDEHYDE, AND ETHYLENE

被引：1570

作者：

PULAY, P

FOGARASI, G

PONGOR, G

BOGGS, JE

VARGHA, A

机构：

[1] EOTVOS L UNIV, INST GEN & INORGAN CHEM, H-1445 BUDAPEST 8, HUNGARY

[2] UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1983年 / 105卷 / 24期

关键词：

D O I：

10.1021/ja00362a005

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：7037 / 7047

页数：11

共 62 条

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