A SEMI-EMPIRICAL SELF-CONSISTENT-FIELD HARTREE-FOCK CRYSTAL-ORBITAL INVESTIGATION ON HIGHLY PUCKERED PORPHYRINATONICKEL(II) BACKBONES

被引：9

|

作者：

BOHM, MC

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1984年 / 107卷 / 03期

关键词：

D O I：

10.1016/0009-2614(84)85137-4

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

收藏

页码：322 / 329

页数：8

相关论文

共 36 条

[31] 2ND-ORDER COUPLED PERTURBED HARTREE-FOCK EQUATIONS FOR CLOSED-SHELL AND OPEN-SHELL SELF-CONSISTENT-FIELD WAVE-FUNCTIONS
OSAMURA, Y
YAMAGUCHI, Y
SCHAEFER, HF
CHEMICAL PHYSICS, 1986, 103 (2-3) : 227 - 242
[32] INVESTIGATION OF ELECTRON-DISTRIBUTION AND HYPERFINE PROPERTIES OF HEMIN BY 1ST-PRINCIPLES HARTREE-FOCK SELF-CONSISTENT FIELD PROCEDURE
SAHOO, N
LATA, KR
DAS, TP
THEORETICA CHIMICA ACTA, 1992, 82 (3-4): : 285 - 298
[33] Semi-empirical calculations of radiative decay rates in Mo II. A comparison between oscillator strength parametrization and core-polarization-corrected relativistic Hartree-Fock approaches
Bouazza, Safa
Palmeri, Patrick
Quinet, Pascal
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2017, 199 : 66 - 70
[34] ACCURATE NUMERICAL HARTREE-FOCK SELF-CONSISTENT-FIELD WAVE-FUNCTIONS FOR CE3+, LA2+, YB3+, TM2+, AND YB2+
SAXENA, KMS
PHYSICAL REVIEW A, 1972, 5 (04): : 1619 - &
[35] SEMI-EMPIRICAL SELF-CONSISTENT FIELD MOLECULAR ORBITAL CALCULATION OF TRANSITION ENERGY AND OSCILLATOR STRENGTH FOR STACKED COMPLEXES OF PYRENE AND 3,4-BENZOPYRENE WITH DNA BASES
NAGATA, C
FUJITA, H
IMAMURA, A
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1967, 40 (11) : 2564 - +
[36] THE ELECTRONIC-STRUCTURE AND THE NATURE OF CHEMICAL-BOND OF CRYSTALLINE LI12SI7 - A SEMIEMPIRICAL CRYSTAL ORBITAL (CO) APPROACH BASED ON THE SELF-CONSISTENT-FIELD (SCF) APPROXIMATION IN THE HARTREE-FOCK (HF) SCHEME APPLIED TO ONE-DIMENSIONAL (1D) SUBUNITS OF THE LI12SI7 SOLID
BOHM, MC
RAMIREZ, R
NESPER, R
VONSCHNERING, HG
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1985, 89 (05): : 465 - 481

← 1 2 3 4 →