POTENTIAL-ENERGY SURFACES OF CYCLOBUTADIENE - ABINITIO SCF AND CI CALCULATIONS FOR LOW-LYING SINGLET AND TRIPLET-STATES

被引：110

作者：

JAFRI, JA ^{[1
]}

NEWTON, MD ^{[1
]}

机构：

[1] BROOKHAVEN NATL LAB,DEPT CHEM,UPTON,NY 11973

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1978年 / 100卷 / 16期

关键词：

D O I：

10.1021/ja00484a016

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：5012 / 5017

页数：6

共 42 条

[1] VIBRATIONALLY INDUCED PERTURBATIONS IN MOLECULAR ELECTRON DISTRIBUTIONS
BADER, RFW
[J]. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1962, 40 (06): : 1164 - &
[2] EXTENDED BASIS SET STUDIES OF HYDROCARBON MOLECULAR-ORBITAL ENERGIES
BINKLEY, JS
POPLE, JA
HEHRE, WJ
[J]. CHEMICAL PHYSICS LETTERS, 1975, 36 (01) : 1 - 5
[3] BINKLEY JS, 1974, MOL PHYS, V28, P1423, DOI 10.1080/00268977400102701
[4] POTENTIAL SURFACES FOR LOWEST SINGLET AND TRIPLET-STATES OF CYCLOBUTADIENE
BORDEN, WT
DAVIDSON, ER
HART, P
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (02) : 388 - 392
[5] THEORETICAL COMPARISON OF TETRAHEDRANE AND CYCLOBUTADIENE BY AB INITIO TECHNIQUES
BUENKER, RJ
PEYERIMHOFF, SD
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (16) : 4342 - +
[6] AB INITIO STUDY ON STABILITY AND GEOMETRY OF CYCLOBUTADIENE
BUENKER, RJ
PEYERIMHOFF, SD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (01) : 354 - +
[7] PHOTOCHEMICAL TRANSFORMATIONS .40. MONODEUTERIOCYCLOBUTADIENES AND DIDEUTERIOCYCLOBUTADIENES
CHAPMAN, OL
DELACRUZ, D
ROTH, R
PACANSKY, J
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (04) : 1337 - 1338
[8] PHOTOCHEMICAL TRANSFORMATIONS .48. CYCLOBUTADIENE
CHAPMAN, OL
MCINTOSH, CL
PACANSKY, J
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (02) : 614 - 617
[9] CIZEK J, 1967, J CHEM PHYS, V47, P3976
[10] [4]ANNULENE SYSTEM - DIRECT PROOF FOR ITS RECTANGULAR GEOMETRY
DELBAERE, LTJ
JAMES, MNG
NAKAMURA, N
MASAMUNE, S
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (07) : 1973 - 1974

← 1 2 3 4 5 →