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MIXED CU SIMPLE METAL DIMERS AND TRIMERS - CULI, CULI2, CUNA, CUK, CUBE, CUBE2, CU2BE, CUAL, AND CUAL2
被引:37
作者
:
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
BAUSCHLICHER, CW
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
LANGHOFF, SR
PARTRIDGE, H
论文数:
0
引用数:
0
h-index:
0
机构:
NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
PARTRIDGE, H
WALCH, SP
论文数:
0
引用数:
0
h-index:
0
机构:
NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
WALCH, SP
机构
:
[1]
NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
[2]
ELORET INST, SUNNYVALE, CA 94087 USA
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1987年
/ 86卷
/ 10期
关键词
:
D O I
:
10.1063/1.452536
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
收藏
页码:5603 / 5612
页数:10
相关论文
共 43 条
[1]
THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
[J].
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
;
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
SCHARF, P
;
EHRHARDT, C
论文数:
0
引用数:
0
h-index:
0
EHRHARDT, C
.
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
:890
-898
[2]
IMPLEMENTATION OF AN ELECTRONIC-STRUCTURE PROGRAM SYSTEM ON THE CYBER 205
[J].
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
AHLRICHS, R
;
BOHM, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
BOHM, HJ
;
EHRHARDT, C
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
EHRHARDT, C
;
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHARF, P
;
SCHIFFER, H
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHIFFER, H
;
LISCHKA, H
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
LISCHKA, H
;
SCHINDLER, M
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHINDLER, M
.
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1985,
6
(03)
:200
-208
[3]
CO-ADSORPTION OF WATER AND IONS ON CU(110) - MODELS FOR THE DOUBLE-LAYER
[J].
BANGE, K
论文数:
0
引用数:
0
h-index:
0
BANGE, K
;
GRIDER, D
论文数:
0
引用数:
0
h-index:
0
GRIDER, D
;
SASS, JK
论文数:
0
引用数:
0
h-index:
0
SASS, JK
.
SURFACE SCIENCE,
1983,
126
(1-3)
:437
-443
[4]
ON HYBRIDIZATION AND BONDING IN THE ALKALINE-EARTHS - BE, MG, AND CA
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
BAUSCHLICHER, CW
;
BAGUS, PS
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
BAGUS, PS
;
COX, BN
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
COX, BN
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(08)
:4032
-4038
[5]
ABINITIO STUDY OF THE ALKALI AND ALKALINE-EARTH MONOHYDROXIDES
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
;
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
LANGHOFF, SR
;
PARTRIDGE, H
论文数:
0
引用数:
0
h-index:
0
PARTRIDGE, H
.
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(02)
:901
-909
[6]
ELECTRONIC-STRUCTURE AND REACTIVITY OF THE TRANSITION-METAL LITHIDES SCLI, CULI AND PDLI
[J].
BECKMANN, HO
论文数:
0
引用数:
0
h-index:
0
BECKMANN, HO
;
PACCHIONI, G
论文数:
0
引用数:
0
h-index:
0
PACCHIONI, G
;
JEUNG, GH
论文数:
0
引用数:
0
h-index:
0
JEUNG, GH
.
CHEMICAL PHYSICS LETTERS,
1985,
116
(05)
:423
-428
[7]
BECKMANN HO, 1986, CHEM PHYS LETT, V84, P2734
[8]
ELECTRONIC SPLITTING BETWEEN 2B1 AND 2A1 STATES OF NH2 RADICAL
[J].
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(10)
:4798
-&
[9]
BROWNING R, COMMUNICATION
[10]
ELECTRONIC WAVEFUNCTIONS FOR ATOMS .3. PARTITION OF DEGENERATE SPACES AND GROUND STATE OF C
[J].
BUNGE, A
论文数:
0
引用数:
0
h-index:
0
BUNGE, A
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(01)
:20
-&
←
1
2
3
4
5
→
共 43 条
[1]
THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
[J].
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
;
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
SCHARF, P
;
EHRHARDT, C
论文数:
0
引用数:
0
h-index:
0
EHRHARDT, C
.
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
:890
-898
[2]
IMPLEMENTATION OF AN ELECTRONIC-STRUCTURE PROGRAM SYSTEM ON THE CYBER 205
[J].
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
AHLRICHS, R
;
BOHM, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
BOHM, HJ
;
EHRHARDT, C
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
EHRHARDT, C
;
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHARF, P
;
SCHIFFER, H
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHIFFER, H
;
LISCHKA, H
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
LISCHKA, H
;
SCHINDLER, M
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHINDLER, M
.
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1985,
6
(03)
:200
-208
[3]
CO-ADSORPTION OF WATER AND IONS ON CU(110) - MODELS FOR THE DOUBLE-LAYER
[J].
BANGE, K
论文数:
0
引用数:
0
h-index:
0
BANGE, K
;
GRIDER, D
论文数:
0
引用数:
0
h-index:
0
GRIDER, D
;
SASS, JK
论文数:
0
引用数:
0
h-index:
0
SASS, JK
.
SURFACE SCIENCE,
1983,
126
(1-3)
:437
-443
[4]
ON HYBRIDIZATION AND BONDING IN THE ALKALINE-EARTHS - BE, MG, AND CA
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
BAUSCHLICHER, CW
;
BAGUS, PS
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
BAGUS, PS
;
COX, BN
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
COX, BN
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(08)
:4032
-4038
[5]
ABINITIO STUDY OF THE ALKALI AND ALKALINE-EARTH MONOHYDROXIDES
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
;
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
LANGHOFF, SR
;
PARTRIDGE, H
论文数:
0
引用数:
0
h-index:
0
PARTRIDGE, H
.
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(02)
:901
-909
[6]
ELECTRONIC-STRUCTURE AND REACTIVITY OF THE TRANSITION-METAL LITHIDES SCLI, CULI AND PDLI
[J].
BECKMANN, HO
论文数:
0
引用数:
0
h-index:
0
BECKMANN, HO
;
PACCHIONI, G
论文数:
0
引用数:
0
h-index:
0
PACCHIONI, G
;
JEUNG, GH
论文数:
0
引用数:
0
h-index:
0
JEUNG, GH
.
CHEMICAL PHYSICS LETTERS,
1985,
116
(05)
:423
-428
[7]
BECKMANN HO, 1986, CHEM PHYS LETT, V84, P2734
[8]
ELECTRONIC SPLITTING BETWEEN 2B1 AND 2A1 STATES OF NH2 RADICAL
[J].
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(10)
:4798
-&
[9]
BROWNING R, COMMUNICATION
[10]
ELECTRONIC WAVEFUNCTIONS FOR ATOMS .3. PARTITION OF DEGENERATE SPACES AND GROUND STATE OF C
[J].
BUNGE, A
论文数:
0
引用数:
0
h-index:
0
BUNGE, A
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(01)
:20
-&
←
1
2
3
4
5
→