ELECTRONIC-STRUCTURES OF TETRAHEDRAL OXO-COMPLEXES - NATURE OF CHARGE-TRANSFER TRANSITIONS

被引：171

作者：

ZIEGLER, T

RAUK, A

BAERENDS, EJ

机构：

[1] UNIV CALGARY, DEPT CHEM, CALGARY T2N 1N4, ALBERTA, CANADA

[2] VRIJE UNIV AMSTERDAM, SCHEIKUNDIG LAB, AMSTERDAM, NETHERLANDS

来源：

CHEMICAL PHYSICS | 1976年 / 16卷 / 02期

关键词：

D O I：

10.1016/0301-0104(76)80056-0

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：209 / 217

页数：9

共 26 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] BALLHAUSEN CJ, 1965, MOLECULAR ORBITAL TH, P108
[3] BALLHAUSEN CJ, 1971, COORDINATION CHEMIST, pCH1
[4] AB-INITIO MOLECULAR-ORBITAL CALCULATIONS OF TRANSITION-METAL COMPLEXES .3. GROUND-STATES OF PERMANGANATE, CHROMATE AND VANADATE IONS AS STUDIED BY EXTENDED BASIS SCF-MO CALCULATIONS AND X-RAY SPECTROSCOPY
CONNOR, JA
BARBER, M
SAUNDERS, VR
WOOD, MH
HILLIER, IH
[J]. MOLECULAR PHYSICS, 1972, 24 (03) : 497 - +
[5] CONCERNING ULTRAVIOLET PHOTOELECTRON-SPECTRA OF OSMIUM AND RUTHENIUM TETROXIDE
EVANS, S
HAMNETT, A
ORCHARD, AF
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (19) : 6221 - 6222
[6] ELECTRONIC-STRUCTURE OF VANADATE AND CHROMATE IONS AS CALCULATED BY MS X-ALPHA METHOD
GUBANOV, VA
WEBER, J
CONNOLLY, JWD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (04) : 1455 - 1461
[7] LOW TEMPERATURE ABSORPTION SPECTRA OF KMNO4 IN KCLO4
HOLT, SL
BALLHAUSEN, CJ
[J]. THEORETICA CHIMICA ACTA, 1967, 7 (04): : 313 - +
[8] CHEMICAL BONDING OF A MOLECULAR TRANSITION-METAL ION IN A CRYSTALLINE ENVIRONMENT
JOHNSON, KH
SMITH, FC
[J]. PHYSICAL REVIEW B, 1972, 5 (03): : 831 - &
[9] ELECTRONIC ABSORPTION SPECTRUM OF BA(MNO4)2.3H2O/BA(CLO4)2.3H2O
JOHNSON, LW
MCGLYNN, SP
[J]. CHEMICAL PHYSICS LETTERS, 1971, 10 (05) : 595 - &
[10] MEAN X-O BOND LENGTHS OF XO4N-TETRAHEDRAL OXYANIONS
KALMAN, A
[J]. JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1971, (11): : 1857 - &

← 1 2 3 →