共 9 条
A PROPOSAL FOR THE PROPER USE OF PSEUDOPOTENTIALS IN MOLECULAR-ORBITAL CLUSTER MODEL STUDIES OF CHEMISORPTION - COMMENT
被引:3
作者:

IGELMANN, G
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STOLL, H
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D O I:
10.1063/1.449460
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 ;
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页码:913 / 913
页数:1
相关论文
共 9 条
[1]
A PROPOSAL FOR THE PROPER USE OF PSEUDOPOTENTIALS IN MOLECULAR-ORBITAL CLUSTER MODEL STUDIES OF CHEMISORPTION
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BAGUS, PS
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JOURNAL OF CHEMICAL PHYSICS,
1984, 81 (08)
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BAGUS, PS
论文数: 0 引用数: 0
h-index: 0
机构: NASA,AMES RES CTR,MOFFETT FIELD,CA 94035

BAUSCHLICHER, CW
论文数: 0 引用数: 0
h-index: 0
机构: NASA,AMES RES CTR,MOFFETT FIELD,CA 94035

NELIN, CJ
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h-index: 0
机构: NASA,AMES RES CTR,MOFFETT FIELD,CA 94035

LASKOWSKI, BC
论文数: 0 引用数: 0
h-index: 0
机构: NASA,AMES RES CTR,MOFFETT FIELD,CA 94035

SEEL, M
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h-index: 0
机构: NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
[2]
ON THE NATURE OF THE BONDING IN CU-2 - AN ABINITIO VIEWPOINT
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BAUSCHLICHER, CW
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机构: POLYATOM RES INST,MT VIEW,CA 94043

WALCH, SP
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h-index: 0
机构: POLYATOM RES INST,MT VIEW,CA 94043

SIEGBAHN, PEM
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机构: POLYATOM RES INST,MT VIEW,CA 94043
[3]
ON THE NATURE OF THE BONDING IN CU2
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BAUSCHLICHER, CW
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BAUSCHLICHER, CW
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h-index: 0
机构:
INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN

WALCH, SP
论文数: 0 引用数: 0
h-index: 0
机构:
INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN
[4]
ON THE ELECTRON-AFFINITY OF CU ATOM
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BAUSCHLICHER, CW
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论文数: 0 引用数: 0
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机构: POLYATOM RES INST,MT VIEW,CA 94043

WALCH, SP
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机构: POLYATOM RES INST,MT VIEW,CA 94043

PARTRIDGE, H
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CU AND AG AS ONE-VALENCE-ELECTRON ATOMS - PSEUDOPOTENTIAL RESULTS FOR CU-2, AG-2, CUH, AGH, AND THE CORRESPONDING CATIONS
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DOLG, M
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FLAD, J
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VONSZENTPALY, L
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PREUSS, H
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CU AND AG AS ONE-VALENCE-ELECTRON ATOMS - CI RESULTS AND QUADRUPOLE CORRECTIONS FOR CU2, AG2, CUH, AND AGH
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STOLL, H
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SCHWERDTFEGER, P
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FLAD, J
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VONSZENTPALY, L
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PREUSS, H
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A SYSTEMATIC PREPARATION OF NEW CONTRACTED GAUSSIAN-TYPE ORBITAL SETS .7. MINI-3, MINI-4, MIDI-3, AND MIDI-4 SETS FOR TRANSITION-METAL ATOMS
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UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2M7,ALBERTA,CANADA UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2M7,ALBERTA,CANADA

SAKAI, Y
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机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2M7,ALBERTA,CANADA UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2M7,ALBERTA,CANADA

HUZINAGA, S
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机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2M7,ALBERTA,CANADA UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2M7,ALBERTA,CANADA
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GAUSSIAN BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING THIRD-ROW ATOMS
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