SOME THEORETICAL TECHNIQUES IN CLUSTER MODEL-CALCULATIONS

被引：0

作者：

CHANDRADATTA, N ^{[1
]}

机构：

[1] PROJECTS & DEV INDIA LTD, CATALYST DEV & RES, DHANBAD 828122, BIHAR, INDIA

来源：

JOURNAL OF SCIENTIFIC & INDUSTRIAL RESEARCH | 1989年 / 48卷 / 08期

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暂无

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：375 / 393

页数：19

共 230 条

[1] ETHYLENE COMPLEXES - BONDING, ROTATIONAL BARRIERS, AND CONFORMATIONAL PREFERENCES
ALBRIGHT, TA
HOFFMANN, R
THIBEAULT, JC
THORN, DL
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (14) : 3801 - 3812
[2] POLYENE-ML2 AND POLYENE-ML4 COMPLEXES - CONFORMATIONAL PREFERENCES AND BARRIERS OF ROTATION
ALBRIGHT, TA
HOFFMANN, R
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (14) : 3812 - 3821
[3] COUNTERINTUITIVE ORBITAL MIXING IN SEMI-EMPIRICAL AND ABINITIO MOLECULAR-ORBITAL CALCULATIONS
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HOFFMANN, R
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (12) : 3686 - 3692
[4] MOLECULAR-ORBITAL INVESTIGATION OF CHEMISORPTION .1. HYDROGEN ON TUNGSTEN (100) SURFACE
ANDERS, LW
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (10) : 5277 - 5287
[5] MOLECULAR-ORBITAL INVESTIGATION OF CHEMISORPTION .2. NITROGEN ON TUNGSTEN (100) SURFACE
ANDERS, LW
HANSEN, RS
BARTELL, LS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (05) : 1641 - 1654
[6] ELECTRONIC-STRUCTURE OF CHEVREL-PHASE HIGH-CRITICAL-FIELD SUPERCONDUCTORS
ANDERSEN, OK
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[J]. PHYSICAL REVIEW B, 1978, 17 (03): : 1209 - 1237
[7] STRUCTURAL AND ORBITAL ANALYSIS OF ETHYLENE AND ACETYLENE ON NI(111) SURFACES
ANDERSON, AB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (05) : 1729 - 1734
[8] VIBRATIONAL POTENTIALS AND STRUCTURES IN MOLECULAR AND SOLID CARBON, SILICON, GERMANIUM, AND TIN
ANDERSON, AB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (10) : 4430 - 4436
[9] DERIVATION OF EXTENDED HUCKEL METHOD WITH CORRECTIONS - ONE ELECTRON MOLECULAR-ORBITAL THEORY FOR ENERGY-LEVEL AND STRUCTURE DETERMINATIONS
ANDERSON, AB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (03) : 1187 - 1188
[10] ACETYLENE ADSORPTION TO FE(100), FE(110), AND FE(111) SURFACES - STRUCTURES AND REACTIONS
ANDERSON, AB
MEHANDRU, SP
[J]. SURFACE SCIENCE, 1984, 136 (2-3) : 398 - 418

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