THEORETICAL-STUDY OF THE GROUND-STATE GEOMETRY AND EXCITED-STATE SPECTRUM OF HO2NO2

被引:30
作者
SAXON, RP [1 ]
LIU, B [1 ]
机构
[1] IBM CORP, RES LAB, SAN JOSE, CA 95193 USA
关键词
D O I
10.1021/j100253a035
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:1227 / 1232
页数:6
相关论文
共 33 条
[1]   SINGLE DETERMINANT WAVE FUNCTIONS [J].
AMOS, AT ;
HALL, GG .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 263 (1312) :483-+
[2]   APPLICATION OF RRKM THEORY USING A HINDERED ROTATIONAL GORIN MODEL TSITION STATE TO REACTION HO2NO2 + N2 REVERSIBLE HO2 + NO2 + N2 [J].
BALDWIN, AC ;
GOLDEN, DM .
JOURNAL OF PHYSICAL CHEMISTRY, 1978, 82 (06) :644-647
[3]   N-N BOND IN DINITROGEN TETROXIDE [J].
BAUSCHLICHER, CW ;
KOMORNICKI, A ;
ROOS, B .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (04) :745-748
[4]  
BINKLEY JS, GAUSSIAN 82
[5]   KINETICS OF THE REACTION HO2+NO2(+M)=HO2NO2 USING MOLECULAR MODULATION SPECTROMETRY [J].
COX, RA ;
PATRICK, K .
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 1979, 11 (06) :635-648
[6]   EFFECT OF ELECTRON CORRELATION ON THEORETICAL EQUILIBRIUM GEOMETRIES .2. COMPARISON OF THIRD-ORDER PERTURBATION AND CONFIGURATION-INTERACTION RESULTS WITH EXPERIMENT [J].
DEFREES, DJ ;
RAGHAVACHARI, K ;
SCHLEGEL, HB ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (21) :5576-5580
[7]  
Dunning T. H. J., 1977, MODERN THEORETICAL C, P1, DOI DOI 10.1007/978-1-4757-0887-5_1
[8]   ELECTRONIC-STRUCTURE OF NITROGEN-DIOXIDE .1. MULTICONFIGURATION SELF-CONSISTENT-FIELD CALCULATION OF LOW-LYING ELECTRONIC STATES [J].
GILLISPIE, GD ;
KHAN, AU ;
WAHL, AC ;
HOSTENY, RP ;
KRAUSS, M .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (08) :3425-3444
[9]   TEMPERATURE-DEPENDENCE OF UNIMOLECULAR DECOMPOSITION OF PERNITRIC ACID AND ITS ATMOSPHERIC IMPLICATIONS [J].
GRAHAM, RA ;
WINER, AM ;
PITTS, JN .
CHEMICAL PHYSICS LETTERS, 1977, 51 (02) :215-220
[10]   ULTRAVIOLET AND INFRARED-ABSORPTION CROSS-SECTIONS OF GAS-PHASE HO2NO2 [J].
GRAHAM, RA ;
WINER, AM ;
PITTS, JN .
GEOPHYSICAL RESEARCH LETTERS, 1978, 5 (11) :909-911