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RATE CALCULATIONS FROM TIME-DEPENDENT WAVE PACKET METHODS - THE RELATIONSHIP OF THE PURE STATE AND CANONICAL TOTAL REACTION PROBABILITY
被引:2
作者
:
AGRAWAL, PM
论文数:
0
引用数:
0
h-index:
0
机构:
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74078
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74078
AGRAWAL, PM
[
1
]
AGRAWAL, NC
论文数:
0
引用数:
0
h-index:
0
机构:
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74078
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74078
AGRAWAL, NC
[
1
]
VISWANATHAN, R
论文数:
0
引用数:
0
h-index:
0
机构:
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74078
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74078
VISWANATHAN, R
[
1
]
RAFF, LM
论文数:
0
引用数:
0
h-index:
0
机构:
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74078
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74078
RAFF, LM
[
1
]
机构
:
[1]
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74078
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1984年
/ 80卷
/ 02期
关键词
:
D O I
:
10.1063/1.446783
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:760 / 764
页数:5
相关论文
共 14 条
[1]
CALCULATION OF REACTION PROBABILITIES AND RATE COEFFICIENTS FOR COLLINEAR 3-BODY EXCHANGE-REACTIONS USING TIME-DEPENDENT WAVE PACKET METHODS
[J].
AGRAWAL, PM
论文数:
0
引用数:
0
h-index:
0
AGRAWAL, PM
;
RAFF, LM
论文数:
0
引用数:
0
h-index:
0
RAFF, LM
.
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(09)
:5076
-5081
[2]
EXACT QUANTUM, QUASICLASSICAL FORWARD AND REVERSE REACTION PROBABILITIES FOR A COLLINEAR ASYMMETRIC MODEL REACTION
[J].
BERGERON, G
论文数:
0
引用数:
0
h-index:
0
BERGERON, G
;
LEFORESTIER, C
论文数:
0
引用数:
0
h-index:
0
LEFORESTIER, C
.
CHEMICAL PHYSICS LETTERS,
1980,
71
(03)
:519
-523
[3]
DIRAC PAM, 1958, PRINCIPLES QUANTUM M, P109
[4]
COMPARISON OF VARIATIONAL TRANSITION-STATE THEORY AND THE UNIFIED STATISTICAL-MODEL WITH VIBRATIONALLY ADIABATIC TRANSMISSION COEFFICIENTS TO ACCURATE COLLINEAR RATE CONSTANTS FOR T+HD-]TH+D
[J].
GARRETT, BC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
GARRETT, BC
;
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
TRUHLAR, DG
;
GREV, RS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
GREV, RS
;
WALKER, RB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
WALKER, RB
.
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(01)
:235
-240
[5]
COMPARISON OF QUANTUM-MECHANICAL AND QUASICLASSICAL SCATTERING AS A FUNCTION OF SURFACE TOPOLOGY
[J].
KELLERHALS, GE
论文数:
0
引用数:
0
h-index:
0
机构:
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74074
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74074
KELLERHALS, GE
;
SATHYAMURTHY, N
论文数:
0
引用数:
0
h-index:
0
机构:
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74074
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74074
SATHYAMURTHY, N
;
RAFF, LM
论文数:
0
引用数:
0
h-index:
0
机构:
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74074
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74074
RAFF, LM
.
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(02)
:818
-825
[6]
AB-INITIO POTENTIAL-ENERGY SURFACE FOR LINEAR H-3
[J].
LIU, B
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
LIU, B
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(05)
:1925
-1937
[7]
QUANTUM-MECHANICAL CALCULATION OF THE PROBABILITY OF AN EXCHANGE REACTION FOR CONSTRAINED LINEAR ENCOUNTERS
[J].
MAZUR, J
论文数:
0
引用数:
0
h-index:
0
MAZUR, J
;
RUBIN, RJ
论文数:
0
引用数:
0
h-index:
0
RUBIN, RJ
.
JOURNAL OF CHEMICAL PHYSICS,
1959,
31
(05)
:1395
-1412
[8]
DYNAMICS OF COLLINEAR H+H2 REACTION .1. PROBABILITY DENSITY AND FLUX
[J].
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
MCCULLOUGH, EA
;
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
WYATT, RE
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(08)
:3578
-+
[9]
QUANTUM DYNAMICS OF COLLINEAR (H,H2) REACTION
[J].
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
MCCULLOUGH, EA
;
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
WYATT, RE
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(03)
:1253
-+
[10]
DYNAMICS OF COLLINEAR H+H2 REACTION .2. ENERGY ANALYSIS
[J].
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
MCCULLOUGH, EA
;
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
WYATT, RE
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(08)
:3592
-+
←
1
2
→
共 14 条
[1]
CALCULATION OF REACTION PROBABILITIES AND RATE COEFFICIENTS FOR COLLINEAR 3-BODY EXCHANGE-REACTIONS USING TIME-DEPENDENT WAVE PACKET METHODS
[J].
AGRAWAL, PM
论文数:
0
引用数:
0
h-index:
0
AGRAWAL, PM
;
RAFF, LM
论文数:
0
引用数:
0
h-index:
0
RAFF, LM
.
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(09)
:5076
-5081
[2]
EXACT QUANTUM, QUASICLASSICAL FORWARD AND REVERSE REACTION PROBABILITIES FOR A COLLINEAR ASYMMETRIC MODEL REACTION
[J].
BERGERON, G
论文数:
0
引用数:
0
h-index:
0
BERGERON, G
;
LEFORESTIER, C
论文数:
0
引用数:
0
h-index:
0
LEFORESTIER, C
.
CHEMICAL PHYSICS LETTERS,
1980,
71
(03)
:519
-523
[3]
DIRAC PAM, 1958, PRINCIPLES QUANTUM M, P109
[4]
COMPARISON OF VARIATIONAL TRANSITION-STATE THEORY AND THE UNIFIED STATISTICAL-MODEL WITH VIBRATIONALLY ADIABATIC TRANSMISSION COEFFICIENTS TO ACCURATE COLLINEAR RATE CONSTANTS FOR T+HD-]TH+D
[J].
GARRETT, BC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
GARRETT, BC
;
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
TRUHLAR, DG
;
GREV, RS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
GREV, RS
;
WALKER, RB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
WALKER, RB
.
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(01)
:235
-240
[5]
COMPARISON OF QUANTUM-MECHANICAL AND QUASICLASSICAL SCATTERING AS A FUNCTION OF SURFACE TOPOLOGY
[J].
KELLERHALS, GE
论文数:
0
引用数:
0
h-index:
0
机构:
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74074
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74074
KELLERHALS, GE
;
SATHYAMURTHY, N
论文数:
0
引用数:
0
h-index:
0
机构:
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74074
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74074
SATHYAMURTHY, N
;
RAFF, LM
论文数:
0
引用数:
0
h-index:
0
机构:
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74074
OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74074
RAFF, LM
.
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(02)
:818
-825
[6]
AB-INITIO POTENTIAL-ENERGY SURFACE FOR LINEAR H-3
[J].
LIU, B
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
LIU, B
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(05)
:1925
-1937
[7]
QUANTUM-MECHANICAL CALCULATION OF THE PROBABILITY OF AN EXCHANGE REACTION FOR CONSTRAINED LINEAR ENCOUNTERS
[J].
MAZUR, J
论文数:
0
引用数:
0
h-index:
0
MAZUR, J
;
RUBIN, RJ
论文数:
0
引用数:
0
h-index:
0
RUBIN, RJ
.
JOURNAL OF CHEMICAL PHYSICS,
1959,
31
(05)
:1395
-1412
[8]
DYNAMICS OF COLLINEAR H+H2 REACTION .1. PROBABILITY DENSITY AND FLUX
[J].
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
MCCULLOUGH, EA
;
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
WYATT, RE
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(08)
:3578
-+
[9]
QUANTUM DYNAMICS OF COLLINEAR (H,H2) REACTION
[J].
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
MCCULLOUGH, EA
;
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
WYATT, RE
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(03)
:1253
-+
[10]
DYNAMICS OF COLLINEAR H+H2 REACTION .2. ENERGY ANALYSIS
[J].
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
MCCULLOUGH, EA
;
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
WYATT, RE
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(08)
:3592
-+
←
1
2
→