X-ALPHA MULTIPLE-SCATTERING CALCULATIONS ON COPPER, SILVER, AND GOLD PORPHINES

被引：32

作者：

SONTUM, SF ^{[1
]}

CASE, DA ^{[1
]}

机构：

[1] UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1982年 / 86卷 / 09期

关键词：

D O I：

10.1021/j100206a025

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：1596 / 1606

页数：11

共 50 条

[21] ELECTRONIC-STRUCTURE OF METALLOCENE COMPOUNDS .3. COMPARISON OF THE RESULTS OF MULTIPLE-SCATTERING X-ALPHA CALCULATIONS WITH VARIOUS ELECTRONIC OBSERVABLES OF COBALTOCENE
WEBER, J
GOURSOT, A
PENIGAULT, E
AMMETER, JH
BACHMANN, J
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (06) : 1491 - 1506
[22] STUDY OF CHARGE-DENSITY APPROXIMATIONS FOR MULTIPLE-SCATTERING X-ALPHA-CALCULATIONS
NAGEL, S
MOLECULAR PHYSICS, 1983, 48 (01) : 161 - 174
[23] ELECTRONIC-STRUCTURE AND RELATED PROPERTIES OF METALLOCENES - MULTIPLE-SCATTERING X-ALPHA MOLECULAR-ORBITAL STUDY
WEBER, J
GOURSOT, A
PENIGAULT, E
JOURNAL OF MOLECULAR STRUCTURE, 1980, 60 (JAN) : 397 - 400
[24] APPLICATION OF MULTIPLE-SCATTERING X-ALPHA METHOD TO DIRHENIUMOCTACHLORIDE ANION RE2CL2-8
MORTOLA, AP
MOSKOWIT.JW
ROSCH, N
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, (08) : 161 - 167
[25] ELECTRONIC-STRUCTURE OF HELIUM-TRAPPED VACANCY IN ALUMINUM USING MULTIPLE-SCATTERING X-ALPHA METHOD
IYAKUTTI, K
SANKAR, S
THIAGARAJAN, M
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1989, 35 (05) : 679 - 685
[26] THE CALCULATION OF LIGAND-FIELD MULTIPLET STATES FROM MULTIPLE-SCATTERING X-ALPHA WAVE-FUNCTIONS
DAUL, C
GOURSOT, A
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, 29 (04) : 779 - 792
[27] CALCULATION OF ONE-ELECTRON PROPERTIES OF LIH FROM X-ALPHA MULTIPLE-SCATTERING WAVE-FUNCTIONS
COOK, M
KARPLUS, M
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01): : 7 - 19
[28] PSEUDOPOTENTIAL AND MULTIPLE-SCATTERING X-ALPHA CALCULATIONS OF NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS AND OTHER PROPERTIES OF DIATOMIC HALOGEN MOLECULES AND THEIR MONOANIONS AND MONOCATIONS
BOWMAKER, GA
SCHWERDTFEGER, P
VONSZENTPALY, L
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1989, 53 (1-2): : 87 - 101
[29] MS X-ALPHA CALCULATIONS ON CHLOROFLUOROMETHANES
PRESTON, HJT
KAUFMAN, JJ
CHEMICAL PHYSICS LETTERS, 1977, 50 (01) : 157 - 161
[30] ELECTRONIC-STRUCTURE OF FE IN SOME MINERALS, DERIVED FROM ITERATIVE EXTENDED HUCKEL THEORY (IEHT), MULTIPLE-SCATTERING X-ALPHA (MS-X-ALPHA) CALCULATIONS, AND MOSSBAUER MEASUREMENTS
ALDRIDGE, LP
BILL, E
BLAS, R
LAUER, S
MARATHE, VR
SAWARYN, A
TRAUTWEIN, AX
WINKLER, H
AMERICAN MINERALOGIST, 1986, 71 (7-8) : 1015 - 1021

← 1 2 3 4 5 →