REACTION PATHS FOR THE DISSOCIATION A 3A''CH2CO-]X3B1CH2+X1-SIGMA+CO

被引:79
作者
ALLEN, WD
SCHAEFER, HF
机构
[1] UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
[2] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB, BERKELEY, CA 94720 USA
[3] UNIV GEORGIA, SCH CHEM SCI, CTR COMPUTAT QUANTUM CHEM, ATHENS, GA 30602 USA
关键词
D O I
10.1063/1.455473
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:329 / 344
页数:16
相关论文
共 78 条
[1]   GEOMETRICAL STRUCTURES, FORCE-CONSTANTS, AND VIBRATIONAL-SPECTRA OF SIH, SIH2, SIH3, AND SIH4 [J].
ALLEN, WD ;
SCHAEFER, HF .
CHEMICAL PHYSICS, 1986, 108 (02) :243-274
[2]   AN EXAMINATION OF THE 2 1A1 STATES OF FORMALDEHYDE AND KETENE INCLUDING ANALYTIC CONFIGURATION-INTERACTION ENERGY 1ST DERIVATIVES FOR SINGLET EXCITED ELECTRONIC STATES OF THE SAME SYMMETRY AS THE GROUND-STATE [J].
ALLEN, WD ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (12) :7076-7095
[3]   ABINITIO STUDIES OF THE LOW-LYING ELECTRONIC STATES OF KETENE [J].
ALLEN, WD ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (04) :2212-2225
[4]   GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS [J].
ALMLOF, J ;
TAYLOR, PR .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (07) :4070-4077
[5]   PHOTOFRAGMENTATION DYNAMICS OF FORMALDEHYDE - CO(V,J) DISTRIBUTIONS AS A FUNCTION OF INITIAL ROVIBRONIC STATE AND ISOTOPIC-SUBSTITUTION [J].
BAMFORD, DJ ;
FILSETH, SV ;
FOLTZ, MF ;
HEPBURN, JW ;
MOORE, CB .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (07) :3032-3041
[6]   PHOTODECOMPOSITION OF KETENE TO FORM METHYLENE [J].
BASCH, H .
THEORETICA CHIMICA ACTA, 1973, 28 (02) :151-160
[7]   ON THE 1A1-3B1 SEPARATION IN CH2 AND SIH2 [J].
BAUSCHLICHER, CW ;
LANGHOFF, SR ;
TAYLOR, PR .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (01) :387-391
[8]   ROTATIONAL STATE DISTRIBUTION OF CO PHOTOFRAGMENTS FROM TRIPLET KETENE [J].
BITTO, H ;
CHEN, IC ;
MOORE, CB .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (09) :5101-5106
[9]  
BITTO H, 1986, FARADAY DISCUSS, V81, P149
[10]   MOLECULAR GEOMETRY AND MULLIKEN-WALSH MOLECULAR-ORBITAL MODEL - AB-INITIO STUDY [J].
BUENKER, RJ ;
PEYERIMH.SD .
CHEMICAL REVIEWS, 1974, 74 (02) :127-188