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SADDLE POINT GEOMETRY AND BARRIER HEIGHT FOR H+F2-]HF+F
被引:47
作者
:
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, LAWRENCE LIVERMORE LAB, LIVERMORE, CA 94550 USA
BENDER, CF
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, LAWRENCE LIVERMORE LAB, LIVERMORE, CA 94550 USA
BAUSCHLICHER, CW
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, LAWRENCE LIVERMORE LAB, LIVERMORE, CA 94550 USA
SCHAEFER, HF
机构
:
[1]
UNIV CALIF, LAWRENCE LIVERMORE LAB, LIVERMORE, CA 94550 USA
[2]
UNIV CALIF, DEPT CHEM, BERKELEY, CA 94720 USA
[3]
UNIV CALIF, LAWRENCE BERKELEY LAB, BERKELEY, CA 94720 USA
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1974年
/ 60卷
/ 09期
关键词
:
D O I
:
10.1063/1.1681595
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:3707 / 3708
页数:2
相关论文
共 12 条
[1]
NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE
[J].
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
;
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
.
JOURNAL OF PHYSICAL CHEMISTRY,
1966,
70
(08)
:2675
-&
[2]
POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR F+H2-]FH+H - REFINED LINEAR SURFACE
[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
;
PEARSON, PK
论文数:
0
引用数:
0
h-index:
0
PEARSON, PK
;
ONEIL, SV
论文数:
0
引用数:
0
h-index:
0
ONEIL, SV
.
SCIENCE,
1972,
176
(4042)
:1412
-&
[3]
POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR CHEMICAL F+H2-]FH+H .1. PRELIMINARY SURFACE
[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
;
ONEIL, SV
论文数:
0
引用数:
0
h-index:
0
ONEIL, SV
;
PEARSON, PK
论文数:
0
引用数:
0
h-index:
0
PEARSON, PK
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(09)
:4626
-&
[4]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
:2823
-+
[5]
A CORRELATION OF REACTION RATES
[J].
HAMMOND, GS
论文数:
0
引用数:
0
h-index:
0
HAMMOND, GS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1955,
77
(02)
:334
-338
[6]
GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
[J].
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(04)
:1293
-&
[7]
BARRIER HEIGHT FOR EXCHANGE-REACTION F+HF-]FH+F
[J].
ONEIL, SV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, BERKELEY, CA 94720 USA
ONEIL, SV
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, BERKELEY, CA 94720 USA
SCHAEFER, HF
;
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, BERKELEY, CA 94720 USA
BENDER, CF
.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,
1974,
71
(01)
:104
-106
[8]
H+F2-]HF+F REACTION - AB-INITIO POTENTIAL-ENERGY SURFACE
[J].
ONEIL, SV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,BERKELEY,CA 94720
ONEIL, SV
;
PEARSON, PK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,BERKELEY,CA 94720
PEARSON, PK
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,BERKELEY,CA 94720
SCHAEFER, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(03)
:1126
-1131
[9]
POLANYI JC, 1971, P C POTENTIAL ENERGY
[10]
SELF-CONSISTENT FIELD THEORY FOR OPEN SHELLS OF ELECTRONIC SYSTEMS
[J].
ROOTHAAN, CCJ
论文数:
0
引用数:
0
h-index:
0
ROOTHAAN, CCJ
.
REVIEWS OF MODERN PHYSICS,
1960,
32
(02)
:179
-185
←
1
2
→
共 12 条
[1]
NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE
[J].
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
;
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
.
JOURNAL OF PHYSICAL CHEMISTRY,
1966,
70
(08)
:2675
-&
[2]
POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR F+H2-]FH+H - REFINED LINEAR SURFACE
[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
;
PEARSON, PK
论文数:
0
引用数:
0
h-index:
0
PEARSON, PK
;
ONEIL, SV
论文数:
0
引用数:
0
h-index:
0
ONEIL, SV
.
SCIENCE,
1972,
176
(4042)
:1412
-&
[3]
POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR CHEMICAL F+H2-]FH+H .1. PRELIMINARY SURFACE
[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
;
ONEIL, SV
论文数:
0
引用数:
0
h-index:
0
ONEIL, SV
;
PEARSON, PK
论文数:
0
引用数:
0
h-index:
0
PEARSON, PK
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(09)
:4626
-&
[4]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
:2823
-+
[5]
A CORRELATION OF REACTION RATES
[J].
HAMMOND, GS
论文数:
0
引用数:
0
h-index:
0
HAMMOND, GS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1955,
77
(02)
:334
-338
[6]
GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
[J].
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(04)
:1293
-&
[7]
BARRIER HEIGHT FOR EXCHANGE-REACTION F+HF-]FH+F
[J].
ONEIL, SV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, BERKELEY, CA 94720 USA
ONEIL, SV
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, BERKELEY, CA 94720 USA
SCHAEFER, HF
;
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, BERKELEY, CA 94720 USA
BENDER, CF
.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,
1974,
71
(01)
:104
-106
[8]
H+F2-]HF+F REACTION - AB-INITIO POTENTIAL-ENERGY SURFACE
[J].
ONEIL, SV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,BERKELEY,CA 94720
ONEIL, SV
;
PEARSON, PK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,BERKELEY,CA 94720
PEARSON, PK
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,BERKELEY,CA 94720
SCHAEFER, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(03)
:1126
-1131
[9]
POLANYI JC, 1971, P C POTENTIAL ENERGY
[10]
SELF-CONSISTENT FIELD THEORY FOR OPEN SHELLS OF ELECTRONIC SYSTEMS
[J].
ROOTHAAN, CCJ
论文数:
0
引用数:
0
h-index:
0
ROOTHAAN, CCJ
.
REVIEWS OF MODERN PHYSICS,
1960,
32
(02)
:179
-185
←
1
2
→