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CASSCF/CL CALCULATIONS OF ELECTRONIC STATES AND POTENTIAL-ENERGY SURFACES OF PTH2
被引:72
作者
:
BALASUBRAMANIAN, K
论文数:
0
引用数:
0
h-index:
0
BALASUBRAMANIAN, K
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1987年
/ 87卷
/ 05期
关键词
:
D O I
:
10.1063/1.453068
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:2800 / 2805
页数:6
相关论文
共 31 条
[21]
LANGRIDGESMITH PRR, 1980, J CHEM PHYS, V80, P5400
[22]
THEORETICAL-STUDIES OF OXIDATIVE ADDITION AND REDUCTIVE ELIMINATION .2. REDUCTIVE COUPLING OF H-H, H-C, AND C-C BONDS FROM PALLADIUM AND PLATINUM COMPLEXES
LOW, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
LOW, JJ
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
GODDARD, WA
[J].
ORGANOMETALLICS,
1986,
5
(04)
: 609
-
622
[23]
MOORE CE, 1971, TABLE ATOMIC ENERGY
[24]
SURFACE-REACTIONS OF METAL-CLUSTERS .2. REACTIVITY SURVEYS WITH D-2,N-2, AND CO
MORSE, MD
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
MORSE, MD
GEUSIC, ME
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
GEUSIC, ME
HEATH, JR
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
HEATH, JR
SMALLEY, RE
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
SMALLEY, RE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(05)
: 2293
-
2304
[25]
CLUSTERS OF TRANSITION-METAL ATOMS
MORSE, MD
论文数:
0
引用数:
0
h-index:
0
MORSE, MD
[J].
CHEMICAL REVIEWS,
1986,
86
(06)
: 1049
-
1109
[26]
Pitzer K. S., 1979, ACCOUNTS CHEM RES, V12, P271
[27]
RELATIVISTIC CALCULATIONS OF DISSOCIATION-ENERGIES AND RELATED PROPERTIES
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
PITZER, KS
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1984,
25
(01)
: 131
-
148
[28]
SUPERSONIC COPPER CLUSTERS
POWERS, DE
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTRUM INST,HOUSTON,TX 77251
POWERS, DE
HANSEN, SG
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTRUM INST,HOUSTON,TX 77251
HANSEN, SG
GEUSIC, ME
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTRUM INST,HOUSTON,TX 77251
GEUSIC, ME
MICHALOPOULOS, DL
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTRUM INST,HOUSTON,TX 77251
MICHALOPOULOS, DL
SMALLEY, RE
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTRUM INST,HOUSTON,TX 77251
SMALLEY, RE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(06)
: 2866
-
2881
[29]
Smith J.R., 1980, THEORY CHEMISORPTION
[30]
VANDUIJNEVELDT FB, 1971, IBM945 REP
←
1
2
3
4
→
共 31 条
[21]
LANGRIDGESMITH PRR, 1980, J CHEM PHYS, V80, P5400
[22]
THEORETICAL-STUDIES OF OXIDATIVE ADDITION AND REDUCTIVE ELIMINATION .2. REDUCTIVE COUPLING OF H-H, H-C, AND C-C BONDS FROM PALLADIUM AND PLATINUM COMPLEXES
LOW, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
LOW, JJ
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
GODDARD, WA
[J].
ORGANOMETALLICS,
1986,
5
(04)
: 609
-
622
[23]
MOORE CE, 1971, TABLE ATOMIC ENERGY
[24]
SURFACE-REACTIONS OF METAL-CLUSTERS .2. REACTIVITY SURVEYS WITH D-2,N-2, AND CO
MORSE, MD
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
MORSE, MD
GEUSIC, ME
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
GEUSIC, ME
HEATH, JR
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
HEATH, JR
SMALLEY, RE
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
RICE UNIV,DEPT CHEM,HOUSTON,TX 77251
SMALLEY, RE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(05)
: 2293
-
2304
[25]
CLUSTERS OF TRANSITION-METAL ATOMS
MORSE, MD
论文数:
0
引用数:
0
h-index:
0
MORSE, MD
[J].
CHEMICAL REVIEWS,
1986,
86
(06)
: 1049
-
1109
[26]
Pitzer K. S., 1979, ACCOUNTS CHEM RES, V12, P271
[27]
RELATIVISTIC CALCULATIONS OF DISSOCIATION-ENERGIES AND RELATED PROPERTIES
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
PITZER, KS
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1984,
25
(01)
: 131
-
148
[28]
SUPERSONIC COPPER CLUSTERS
POWERS, DE
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTRUM INST,HOUSTON,TX 77251
POWERS, DE
HANSEN, SG
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTRUM INST,HOUSTON,TX 77251
HANSEN, SG
GEUSIC, ME
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTRUM INST,HOUSTON,TX 77251
GEUSIC, ME
MICHALOPOULOS, DL
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTRUM INST,HOUSTON,TX 77251
MICHALOPOULOS, DL
SMALLEY, RE
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTRUM INST,HOUSTON,TX 77251
SMALLEY, RE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(06)
: 2866
-
2881
[29]
Smith J.R., 1980, THEORY CHEMISORPTION
[30]
VANDUIJNEVELDT FB, 1971, IBM945 REP
←
1
2
3
4
→