APPLICATION OF CNDO-2 METHOD WITH GAUGE INVARIANT ATOMIC ORBITALS BASIS TO STUDY OF MOLECULAR DIAMAGNETISM .1. COUPLED HARTREE-FOCK CALCULATIONS OF MAGNETIC-SUSCEPTIBILITIES AND ANISOTROPIES OF SOME FUNDAMENTAL MOLECULES

被引：8

作者：

BOUCEKKINE, A

GAYOSO, J

机构：

来源：

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE | 1978年 / 75卷 / 01期

关键词：

D O I：

10.1051/jcp/1978750016

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

引用

收藏

页码：16 / 30

页数：15

相关论文

共 73 条

[1] UNCOUPLED HARTREE-FOCK CALCULATIONS OF RING-CURRENT CONTRIBUTION TO MAGNETIC SUSCEPTIBILITIES OF CONJUGATED MOLECULES
AMOS, AT
ROBERTS, HGF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (06) : 2375 - &
[2] The molecular zeeman effect in propene and comparison of the magnetic susceptibility anisotropies with cyclopropene and other small ring compounds
Benson, R. C.
Flygare, W. H.
[J]. CHEMICAL PHYSICS LETTERS, 1969, 4 (03) : 141 - 143
[3] BENSON RC, 1969, J AM CHEM SOC, V91, P6895
[4] BENSON RC, 1970, J CHEM PHYS, V53, P3943
[5] *RECHERCHES EXPERIMENTALES ET THEORIQUES SUR LANISOTROPIE DIAMAGNETIQUE DES COMPOSES AROMATIQUES NON-BENZENOIDES ET DES SYSTEMES QUINONIQUES
BERGMANN, ED
HOARAU, J
PACAULT, A
PULLMAN, A
PULLMAN, B
[J]. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1952, 49 (09) : 474 - 480
[6] *CALCUL QUANTIQUE DE LANISOTROPIE DIAMAGNETIQUE DES MOLECULES ORGANIQUES .3. HYDROCARBURES AROMATIQUES COMPLEXES
BERTHIER, G
MAYOT, M
PULLMAN, A
PULLMAN, B
[J]. JOURNAL DE PHYSIQUE ET LE RADIUM, 1952, 13 (01): : 15 - 20
[7] APPROXIMATE CALCULATION OF DIAMAGNETIC SUSCEPTIBILITIES
BLEY, WR
[J]. MOLECULAR PHYSICS, 1969, 16 (03) : 303 - &
[8] APPROXIMATION CALCULATION OF DIAMAGNETIC SUSCEPTIBILITIES .2. LOCAL AND NONLOCAL CONTRIBUTIONS
BLEY, WR
[J]. MOLECULAR PHYSICS, 1971, 20 (03) : 491 - &
[9] MOLECULAR G VALUES, MAGNETIC SUSCEPTIBILITY ANISOTROPIES, MOLECULAR QUADRUPOLE MOMENTS, AND SECOND MOMENT OF ELECTRONIC CHARGE DISTRIBUTION IN OCF2, CH2CF2, CIS-CHFCHF, AND CH2F2
BLICKENSDERFER, RP
WANG, JHS
FLYGARE, WH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (08) : 3196 - +
[10] VALENCE SHELL CALCULATIONS ON POLYATOMIC-MOLECULES .7. MOLECULAR QUADRUPOLE-MOMENTS AND DIAMAGNETIC SUSCEPTIBILITIES OF CYCLIC MOLECULES
BLOOR, JE
MAKSIC, ZB
[J]. MOLECULAR PHYSICS, 1973, 26 (02) : 397 - 408

← 1 2 3 4 5 6 7 8 →