TORSION VIBRATION INTERACTIONS IN OVERTONE EXCITED-STATES OF HYDROGEN-PEROXIDE

被引:35
作者
CARPENTER, JE
WEINHOLD, F
机构
[1] UNIV WISCONSIN,INST THEORET CHEM,MADISON,WI 53706
[2] UNIV WISCONSIN,DEPT CHEM,MADISON,WI 53706
关键词
D O I
10.1021/j100282a001
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
收藏
页码:6405 / 6408
页数:4
相关论文
共 16 条
[1]  
BOBROWICZ FW, 1977, MODERN THEORETICAL C, V3, P79
[2]   QUANTUM-MECHANICAL STUDIES ON THE ORIGIN OF BARRIERS TO INTERNAL-ROTATION ABOUT SINGLE BONDS [J].
BRUNCK, TK ;
WEINHOLD, F .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (07) :1700-1709
[3]   THEORETICAL DETERMINATION OF MOLECULAR-STRUCTURE AND CONFORMATION .1. ROLE OF BASIS SET AND CORRELATION EFFECTS IN CALCULATIONS ON HYDROGEN-PEROXIDE [J].
CREMER, D .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10) :4440-4445
[4]  
DUBAL HR, 1985, J CHEM PHYS, V83, P3863, DOI 10.1063/1.449097
[5]   THEORETICAL DETERMINATION OF BARRIERS TO INTERNAL-ROTATION IN HYDROGEN-PEROXIDE [J].
DUNNING, TH ;
WINTER, NW .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (05) :1847-1855
[6]  
Dupuis M., 1980, NRCC SOFTWARE CATALO, V1
[7]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .25. SUPPLEMENTARY FUNCTIONS FOR GAUSSIAN-BASIS SETS [J].
FRISCH, MJ ;
POPLE, JA ;
BINKLEY, JS .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (07) :3265-3269
[8]   A LOCAL MODE MODEL FOR TETRAHEDRAL MOLECULES [J].
HALONEN, L ;
CHILD, MS .
MOLECULAR PHYSICS, 1982, 46 (02) :239-255
[9]  
HEATH DJ, 1947, T FARADAY SOC, V44, P556