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CRITICAL TEST OF SEMIEMPIRICAL FH2 POTENTIAL-ENERGY SURFACES - BARRIER HEIGHT FOR H + FH HF + H
被引:79
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
BENDER, CF
GARRISON, BJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE LIVERMORE LAB,LIVERMORE,CA 94550
GARRISON, BJ
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE LIVERMORE LAB,LIVERMORE,CA 94550
SCHAEFER, HF
机构
:
[1]
UNIV CALIF,LAWRENCE LIVERMORE LAB,LIVERMORE,CA 94550
[2]
UNIV CALIF,DEPT CHEM,BERKELEY,CA 94720
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1975年
/ 62卷
/ 03期
关键词
:
D O I
:
10.1063/1.430563
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:1188 / 1190
页数:3
相关论文
共 21 条
[1]
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
-&
[2]
SADDLE POINT GEOMETRY AND BARRIER HEIGHT FOR H+F2-]HF+F
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1974,
60
(09)
:3707
-3708
[3]
MONTE-CARLO TRAJECTORIES - DYNAMICS OF REACTION F+D2 ON A SEMIEMPIRICAL VALENCE-BOND POTENTIAL-ENERGY SURFACE
[J].
BLAIS, NC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,LOS ALAMOS,NM 87544
BLAIS, NC
;
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,LOS ALAMOS,NM 87544
TRUHLAR, DG
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(03)
:1090
-1108
[4]
EFFECTS OF ROTATION ON VIBRATIONAL ENERGY-DISTRIBUTIONS IN REACTION F+H2
[J].
COOMBE, RD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,CHEM DEPT,BERKELEY,CA 94720
UNIV CALIF,CHEM DEPT,BERKELEY,CA 94720
COOMBE, RD
;
PIMENTEL, GC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,CHEM DEPT,BERKELEY,CA 94720
UNIV CALIF,CHEM DEPT,BERKELEY,CA 94720
PIMENTEL, GC
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
59
(03)
:1535
-1536
[5]
EFFECT OF CHANGING REAGENT ENERGY ON REACTION PROBABILITY AND PRODUCT ENERGY-DISTRIBUTION
[J].
DING, AMG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
DING, AMG
;
KIRSCH, LJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
KIRSCH, LJ
;
PERRY, DS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
PERRY, DS
;
POLANYI, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
POLANYI, JC
;
SCHREIBER, JL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
SCHREIBER, JL
.
FARADAY DISCUSSIONS,
1973,
55
:252
-276
[6]
CLASSICAL TRAJECTORY ANALYSIS OF REACTION F+H2-]HF+H
[J].
JAFFE, RL
论文数:
0
引用数:
0
h-index:
0
JAFFE, RL
;
ANDERSON, JB
论文数:
0
引用数:
0
h-index:
0
ANDERSON, JB
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(05)
:2224
-&
[7]
CLASSICAL DYNAMICS OF REACTION OF FLUORINE ATOMS WITH HYDROGEN MOLECULES .2. DEPENDENCE ON POTENTIAL-ENERGY SURFACE
[J].
MUCKERMA.JT
论文数:
0
引用数:
0
h-index:
0
MUCKERMA.JT
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(06)
:2997
-&
[8]
MONTE CARLO CALCULATIONS OF ENERGY PARTITIONING AND ISOTOPE EFFECTS IN REACTIONS OF FLUORINE ATOMS WITH H2, HD, AND D2
[J].
MUCKERMA.JT
论文数:
0
引用数:
0
h-index:
0
MUCKERMA.JT
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(03)
:1155
-&
[9]
MUCKERMAN JT, UNPUBLISHED
[10]
IMPROVED POTENTIALS FOR NE + AR, NE + KR, AND NE + XE
[J].
NG, CY
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60680
NG, CY
;
LEE, YT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60680
LEE, YT
;
BARKER, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60680
BARKER, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(05)
:1996
-2003
←
1
2
3
→
共 21 条
[1]
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
-&
[2]
SADDLE POINT GEOMETRY AND BARRIER HEIGHT FOR H+F2-]HF+F
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1974,
60
(09)
:3707
-3708
[3]
MONTE-CARLO TRAJECTORIES - DYNAMICS OF REACTION F+D2 ON A SEMIEMPIRICAL VALENCE-BOND POTENTIAL-ENERGY SURFACE
[J].
BLAIS, NC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,LOS ALAMOS,NM 87544
BLAIS, NC
;
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,LOS ALAMOS,NM 87544
TRUHLAR, DG
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(03)
:1090
-1108
[4]
EFFECTS OF ROTATION ON VIBRATIONAL ENERGY-DISTRIBUTIONS IN REACTION F+H2
[J].
COOMBE, RD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,CHEM DEPT,BERKELEY,CA 94720
UNIV CALIF,CHEM DEPT,BERKELEY,CA 94720
COOMBE, RD
;
PIMENTEL, GC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,CHEM DEPT,BERKELEY,CA 94720
UNIV CALIF,CHEM DEPT,BERKELEY,CA 94720
PIMENTEL, GC
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
59
(03)
:1535
-1536
[5]
EFFECT OF CHANGING REAGENT ENERGY ON REACTION PROBABILITY AND PRODUCT ENERGY-DISTRIBUTION
[J].
DING, AMG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
DING, AMG
;
KIRSCH, LJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
KIRSCH, LJ
;
PERRY, DS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
PERRY, DS
;
POLANYI, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
POLANYI, JC
;
SCHREIBER, JL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
SCHREIBER, JL
.
FARADAY DISCUSSIONS,
1973,
55
:252
-276
[6]
CLASSICAL TRAJECTORY ANALYSIS OF REACTION F+H2-]HF+H
[J].
JAFFE, RL
论文数:
0
引用数:
0
h-index:
0
JAFFE, RL
;
ANDERSON, JB
论文数:
0
引用数:
0
h-index:
0
ANDERSON, JB
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(05)
:2224
-&
[7]
CLASSICAL DYNAMICS OF REACTION OF FLUORINE ATOMS WITH HYDROGEN MOLECULES .2. DEPENDENCE ON POTENTIAL-ENERGY SURFACE
[J].
MUCKERMA.JT
论文数:
0
引用数:
0
h-index:
0
MUCKERMA.JT
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(06)
:2997
-&
[8]
MONTE CARLO CALCULATIONS OF ENERGY PARTITIONING AND ISOTOPE EFFECTS IN REACTIONS OF FLUORINE ATOMS WITH H2, HD, AND D2
[J].
MUCKERMA.JT
论文数:
0
引用数:
0
h-index:
0
MUCKERMA.JT
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(03)
:1155
-&
[9]
MUCKERMAN JT, UNPUBLISHED
[10]
IMPROVED POTENTIALS FOR NE + AR, NE + KR, AND NE + XE
[J].
NG, CY
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60680
NG, CY
;
LEE, YT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60680
LEE, YT
;
BARKER, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60680
BARKER, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(05)
:1996
-2003
←
1
2
3
→