A UV PHOTOELECTRON SPECTROSCOPIC AND HARTREE-FOCK-SLATER MO-LCAO STUDY OF TETRACYCLO[3.3.0.02,4.03,6]OCT-7-ENE AND RELATED STRAINED COMPOUNDS

被引：3

作者：

JONKERS, G ^{[1
]}

VANDERMEER, WJ ^{[1
]}

DELANGE, CA ^{[1
]}

BAERENDS, EJ ^{[1
]}

STAPERSMA, J ^{[1
]}

KLUMPP, GW ^{[1
]}

机构：

[1] FREE UNIV AMSTERDAM,DEPT CHEM,1081 HV AMSTERDAM,NETHERLANDS

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1984年 / 106卷 / 03期

关键词：

D O I：

10.1021/ja00315a021

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：587 / 590

页数：4

共 28 条

[1] Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure
Baerends, E. J.
Ellis, D. E.
Ros, P.
[J]. CHEMICAL PHYSICS, 1973, 2 (01) : 41 - 51
[2] Self-consistent molecular Hartree-Fock-Slater calculations - II. The effect of exchange scaling in some small molecules
Baerends, E. J.
Ros, P.
[J]. CHEMICAL PHYSICS, 1973, 2 (01) : 52 - 59
[3] BAERENDS EJ, 1978, INT J QUANTUM CHEM, V12, P169
[4] SELF-CONSISTENT MOLECULAR HARTREE-FOCK-SLATER CALCULATIONS .3. INFLUENCE OF NON-SPHERICAL CONTRIBUTIONS TO ELECTRON-DENSITY AND POTENTIALS
BAERENDS, EJ
ROS, P
[J]. CHEMICAL PHYSICS, 1975, 8 (03) : 412 - 418
[5] BAERENDS EJ, 1983, LOCAL DENSITY APPROX
[6] APPLICATIONS OF PHOTOELECTRON SPECTROSCOPY .23. PHOTOELECTRON-SPECTROSCOPIC INVESTIGATION OF HOMOCONJUGATIVE INTERACTION BETWEEN PI-ORBITALS AND WALSH-ROBITALS IN ENDO-CYCLOPROPANO-NORBORNENE AND EXO-CYCLOPROPANO-NORBORNENE
BISCHOF, P
HEILBRON.E
PRINZBAC.H
MARTIN, HD
[J]. HELVETICA CHIMICA ACTA, 1971, 54 (04) : 1072 - &
[7] CANNELL LG, 1966, TETRAHEDRON LETT, P5967
[8] VARIANCE ALGORITHM FOR MINIMIZATION
DAVIDON, WC
[J]. COMPUTER JOURNAL, 1968, 10 (04) : 406 - &
[9] ON THE VALIDITY OF THE X-ALPHA-METHOD IN THE COMPUTATION OF IONIZATION-POTENTIALS - A COMPARISON OF THE RESULTS FOR SMALL MOLECULES
DEALTI, G
DECLEVA, P
LISINI, A
[J]. CHEMICAL PHYSICS, 1982, 66 (03) : 425 - 433
[10] HE(I) PHOTOELECTRON-SPECTROSCOPY OF TRANSIENT SPECIES - SEX2 MOLECULES (X=F, C1 AND BR)
DELEEUW, DM
MOOYMAN, R
DELANGE, CA
[J]. CHEMICAL PHYSICS, 1979, 38 (01) : 21 - 27

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