ELECTRONIC-STRUCTURE OF 2(A-1)-A-1 STATE OF METHYLENE

被引：18

作者：

BAUSCHLICHER, CW ^{[1
]}

YARKONY, DR ^{[1
]}

机构：

[1] JOHNS HOPKINS UNIV, DEPT CHEM, BALTIMORE, MD 21218 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1978年 / 69卷 / 08期

关键词：

D O I：

10.1063/1.437020

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

页码：3875 / 3877

页数：3

共 21 条

[1] ACCURATE ABINITIO CALCULATIONS ON SINGLET-TRIPLET SEPARATION IN METHYLENE
BAUSCHLICHER, CW
SHAVITT, I
[J]. 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
BAUSCHLICHER, CW
SCHAEFER, HF
BAGUS, PS
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (22) : 7106 - 7110
[3] THEORETICAL STUDIES OF LOW-LYING ELECTRONIC STATES OF NH2+ AND CH2
CHU, SY
SIU, AKQ
HAYES, EF
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (09) : 2969 - &
[4] 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 - +
[5] FURTHER KINETIC EVIDENCE FOR ENERGY SEPARATION BETWEEN TRIPLET AND SINGLET METHYLENE
FREY, HM
KENNEDY, GJ
[J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1975, (06) : 233 - 234
[6] ABINITIO STUDIES ON SINGLET-TRIPLET SPLITTING OF METHYLENE (CH2)
HARDING, LB
GODDARD, WA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (04) : 1777 - 1779
[7] METHYLENE - ABINITIO VIBRONIC ANALYSIS AND REINTERPRETATION OF SPECTROSCOPIC AND NEGATIVE-ION PHOTOELECTRON EXPERIMENTS
HARDING, LB
GODDARD, WA
[J]. CHEMICAL PHYSICS LETTERS, 1978, 55 (02) : 217 - 220
[8] STRUCTURE OF METHYLENE
HARRISON, JF
[J]. ACCOUNTS OF CHEMICAL RESEARCH, 1974, 7 (11) : 378 - 384
[9] THEORY AND APPLICATIONS OF PHOTOELECTRON-SPECTROSCOPY .74. CALCULATED PHOTOELECTRON-SPECTRA OF SINGLET AND TRIPLET METHYLENE
HASE, HL
LAUER, G
SCHULTE, KW
SCHWEIG, A
THIEL, W
[J]. CHEMICAL PHYSICS LETTERS, 1978, 54 (03) : 494 - 497
[10] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &

← 1 2 3 →