ACCURATE ABINITIO CALCULATIONS ON SINGLET-TRIPLET SEPARATION IN METHYLENE

被引：137

作者：

BAUSCHLICHER, CW ^{[1
]}

SHAVITT, I ^{[1
]}

机构：

[1] OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1978年 / 100卷 / 03期

关键词：

D O I：

10.1021/ja00471a012

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：739 / 743

页数：5

共 36 条

[1] STRUCTURE AND ENERGETICS OF SIMPLE CARBENES CH2, CHF, CHCL, CHBR, CF2, AND CCL2
BAUSCHLICHER, CW
SCHAEFER, HF
BAGUS, PS
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (22) : 7106 - 7110
[2] SINGLET-TRIPLET ENERGY SEPARATION, WALSH-MULLIKEN DIAGRAMS, AND SINGLET D-POLARIZATION EFFECTS IN METHYLENE
BENDER, CF
ALLEN, LC
SCHAEFER, HF
FRANCESC.DR
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (20) : 6888 - +
[3] ELECTRONIC SPLITTING BETWEEN 2B1 AND 2A1 STATES OF NH2 RADICAL
BENDER, CF
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) : 4798 - &
[4] FLASH PHOTOLYSIS OF KETENE AND DIAZOMETHANE - PRODUCTION AND REACTION KINETICS OF TRIPLET AND SINGLE METHYLENE
BRAUN, W
BASS, AM
PILLING, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) : 5131 - &
[5] CHEMICAL EVIDENCE FOR A SMALL CH2(1A1)-CH2(3SIGMAG-) ELECTRONIC TERM DIFFERENCE
CARR, RW
EDER, TW
TOPOR, MG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (12) : 4716 - &
[6] GROUND-STATES OF MOLECULES .31. MINDO-3 STUDY OF CH2, NH2+, AND O2
DEWAR, MJS
HADDON, RC
LI, WK
THIEL, W
WEINER, PK
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (16) : 4540 - 4545
[7] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .4. REPRESENTATION OF POLARIZATION FUNCTIONS FOR FIRST ROW ATOMS AND HYDROGEN
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (08) : 3958 - &
[9] KINETIC EVIDENCE FOR A LARGE SEPARATION BETWEEN SINGLET AND TRIPLET METHYLENE
FREY, HM
[J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1972, (18) : 1024 - +
[10] KINETICS OF METHYLENE ADDITION TO CIS-BUT-2-ENE AND TRANS-BUT-2-ENE - FURTHER EVIDENCE FOR ENERGY SEPARATION BETWEEN TRIPLET AND SINGLET METHYLENE
FREY, HM
KENNEDY, GJ
[J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1977, 73 : 164 - 170

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