SINGLET-TRIPLET SEPARATION IN CBR2

被引：37
作者：
BAUSCHLICHER, CW
机构：
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1980年 / 102卷 / 17期
关键词：
D O I：
10.1021/ja00537a012
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：5492 / 5493
页数：2
相关论文
共 30 条
[1]   ACCURATE ABINITIO CALCULATIONS ON SINGLET-TRIPLET SEPARATION IN METHYLENE [J].
BAUSCHLICHER, CW ;
SHAVITT, I .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (03) :739-743
[2]   STRUCTURE AND ENERGETICS OF SIMPLE CARBENES CH2, CHF, CHCL, CHBR, CF2, AND CCL2 [J].
BAUSCHLICHER, CW ;
SCHAEFER, HF ;
BAGUS, PS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (22) :7106-7110
[3]   SINGLET-TRIPLET ENERGY SEPARATION, WALSH-MULLIKEN DIAGRAMS, AND SINGLET D-POLARIZATION EFFECTS IN METHYLENE [J].
BENDER, CF ;
ALLEN, LC ;
SCHAEFER, HF ;
FRANCESC.DR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (20) :6888-+
[4]   ABINITIO SCF-MO CALCULATIONS ON CH3BR MOLECULE [J].
CONDEP, GD ;
BAGUS, PS ;
BAUSCHLICHER, CW .
THEORETICA CHIMICA ACTA, 1977, 45 (02) :121-126
[5]   Gaussian basis functions for use in molecular calculations. Contraction of (12s9p) atomic basis sets for the second row atoms [J].
Dunning, T. H., Jr. .
CHEMICAL PHYSICS LETTERS, 1970, 7 (04) :423-427
[6]   GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].
DUNNING, TH .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+
[7]  
DUNNING TH, UNPUBLISHED
[8]   KINETIC EVIDENCE FOR A LARGE SEPARATION BETWEEN SINGLET AND TRIPLET METHYLENE [J].
FREY, HM .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1972, (18) :1024-+
[9]   KINETICS OF METHYLENE ADDITION TO CIS-BUT-2-ENE AND TRANS-BUT-2-ENE - FURTHER EVIDENCE FOR ENERGY SEPARATION BETWEEN TRIPLET AND SINGLET METHYLENE [J].
FREY, HM ;
KENNEDY, GJ .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1977, 73 :164-170
[10]   FURTHER KINETIC EVIDENCE FOR ENERGY SEPARATION BETWEEN TRIPLET AND SINGLET METHYLENE [J].
FREY, HM ;
KENNEDY, GJ .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1975, (06) :233-234
123