RELATIVISTIC SCATTERED WAVE CALCULATIONS ON UF6

被引：65

作者：

CASE, DA

YANG, CY

机构：

[1] NASA,AMES RES CTR,MOFFETT FIELD,CA 94035

[2] SURFACE ANAL RES INC,LOS ALTOS,CA 94022

来源：

JOURNAL OF CHEMICAL PHYSICS | 1980年 / 72卷 / 06期

关键词：

D O I：

10.1063/1.439605

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：3443 / 3448

页数：6

共 39 条

[1] RELATIVISTIC EFFECTS IN ABINITIO EFFECTIVE CORE POTENTIAL STUDIES OF HEAVY-METAL COMPOUNDS - APPLICATION TO HGCL2, AUCL, AND PTH
BASCH, H
TOPIOL, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (02) : 802 - 814
[2] RELATIVISTIC CALCULATION OF THE ELECTRONIC-STRUCTURE OF UF6
BORING, M
WOOD, JH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (01) : 32 - 41
[3] NOTE ON SCF CALCULATIONS OF VALENCE LEVELS IN HEAVY MOLECULES
BORING, M
WOOD, JH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (01) : 392 - 399
[4] BORING M, 1976, CHEM PHYS LETT, V38, P195
[5] RELATIVISTIC MOLECULAR SPINORS BY GENERALIZED MULTIPLE-SCATTERING THEORY
CARTLING, BG
WHITMORE, DM
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (03) : 393 - 412
[6] XALPHA MULTIPLE-SCATTERING CALCULATIONS ON COPPER PORPHINE
CASE, DA
KARPLUS, M
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (19) : 6182 - 6194
[7] BINDING OF OXYGEN AND CARBON-MONOXIDE TO HEMOGLOBIN - ANALYSIS OF THE GROUND AND EXCITED-STATES
CASE, DA
HUYNH, BH
KARPLUS, M
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (16) : 4433 - 4453
[8] CALCULATION OF ONE-ELECTRON PROPERTIES FROM X-ALPHA MULTIPLE-SCATTERING WAVEFUNCTIONS
CASE, DA
KARPLUS, M
[J]. CHEMICAL PHYSICS LETTERS, 1976, 39 (01) : 33 - 38
[9] PSEUDOPOTENTIAL STUDY OF SOME PROMINENT BAND SYSTEMS OF SPECTRA OF I-2 MOLECULE
DAS, G
WAHL, AC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (01) : 53 - 62
[10] APPLICATION OF EFFECTIVE POTENTIALS TO RELATIVISTIC HARTREE-FOCK CALCULATIONS
DATTA, SN
EWIG, CS
VANWAZER, JR
[J]. CHEMICAL PHYSICS LETTERS, 1978, 57 (01) : 83 - 89

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