学术探索
学术期刊
新闻热点
数据分析
智能评审
立即登录
ABINITIO CALCULATION OF TRANSITION-STATE NORMAL MODE PROPERTIES AND RATE CONSTANTS FOR THE H(T)+CH4(CD4) ABSTRACTION AND EXCHANGE-REACTIONS
被引:59
作者
:
SCHATZ, GC
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,THEORET CHEM GRP,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,THEORET CHEM GRP,ARGONNE,IL 60439
SCHATZ, GC
[
1
]
WALCH, SP
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,THEORET CHEM GRP,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,THEORET CHEM GRP,ARGONNE,IL 60439
WALCH, SP
[
1
]
WAGNER, AF
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,THEORET CHEM GRP,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,THEORET CHEM GRP,ARGONNE,IL 60439
WAGNER, AF
[
1
]
机构
:
[1]
ARGONNE NATL LAB,DIV CHEM,THEORET CHEM GRP,ARGONNE,IL 60439
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1980年
/ 73卷
/ 09期
关键词
:
D O I
:
10.1063/1.440692
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:4536 / 4547
页数:12
相关论文
共 39 条
[1]
PNO-CEPA CALCULATION OF COLLINEAR POTENTIAL-ENERGY BARRIERS FOR THERMONEUTRAL EXCHANGE-REACTIONS
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
BOTSCHWINA, P
MEYER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
MEYER, W
[J].
CHEMICAL PHYSICS,
1977,
20
(01)
: 43
-
52
[2]
TRAJECTORY STUDIES OF HOT-ATOM REACTIONS .1. TRITIUM AND METHANE
BUNKER, DL
论文数:
0
引用数:
0
h-index:
0
BUNKER, DL
PATTENGILL, MD
论文数:
0
引用数:
0
h-index:
0
PATTENGILL, MD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(08)
: 3041
-
+
[3]
ACTIVATED COMPLEXES FHH,CLHH, HFH,HCLH, HFF,HCLCL, FHF,CLHCL TWISTED C2H4 AND CH5. ABINITIO SCF 4-31G CALCULATIONS OF FORCE CONSTANTS OF C2H4 AND CH5, AND CNDO-S CALCULATIONS OF ELECTRONIC-TRANSITION ENERGIES
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
机构:
J. Heyrovský Institute of Physical Chemistry and Electrochemistry, Czechoslovak Academy of Sciences
CARSKY, P
ZAHRADNIK, R
论文数:
0
引用数:
0
h-index:
0
机构:
J. Heyrovský Institute of Physical Chemistry and Electrochemistry, Czechoslovak Academy of Sciences
ZAHRADNIK, R
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1979,
54
(JUL)
: 247
-
255
[4]
ABINITIO CALCULATIONS AND ABSOLUTE RATE THEORY - CRITICAL TEST FOR A SERIES OF ELEMENTARY GAS-PHASE REACTIONS
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
CARSKY, P
ZAHRADNIK, R
论文数:
0
引用数:
0
h-index:
0
ZAHRADNIK, R
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1979,
16
(02)
: 243
-
256
[5]
QUANTUM-MECHANICAL TUNNELLING IN THE PROCESSES D+H2-]DH+H AND CH4+H-]CH3+H2 - ECKART TUNNELLING CORRECTIONS FOR RATE CONSTANTS GIVEN BY ABINITIO CALCULATIONS
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
CARSKY, P
[J].
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS,
1979,
44
(12)
: 3452
-
3457
[6]
EXPLORATORY STUDY OF REACTANT VIBRATIONAL EFFECTS IN CH3 + H2 AND ITS ISOTOPIC VARIANTS
CHAPMAN, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92664
UNIV CALIF,DEPT CHEM,IRVINE,CA 92664
CHAPMAN, S
BUNKER, DL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92664
UNIV CALIF,DEPT CHEM,IRVINE,CA 92664
BUNKER, DL
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(07)
: 2890
-
2899
[7]
SUBSTITUTION REACTION OF 3-EV TRITIUM ATOMS WITH METHANE
CHOU, CC
论文数:
0
引用数:
0
h-index:
0
CHOU, CC
ROWLAND, FS
论文数:
0
引用数:
0
h-index:
0
ROWLAND, FS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1966,
88
(11)
: 2612
-
&
[8]
REACTIONS OF 2.8-EV TRITIUM ATOMS WITH METHANE
CHOU, CC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Kansas, Lawrence, KS
CHOU, CC
ROWLAND, FS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Kansas, Lawrence, KS
ROWLAND, FS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(12)
: 5133
-
+
[9]
THRESHOLD ENERGY FOR SUBSTITUTION OF T FOR D IN CD4
CHOU, CC
论文数:
0
引用数:
0
h-index:
0
CHOU, CC
ROWLAND, FS
论文数:
0
引用数:
0
h-index:
0
ROWLAND, FS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(06)
: 2763
-
&
[10]
CHOU CC, 1971, J PHYS CHEM, V75, P1283
←
1
2
3
4
→
共 39 条
[1]
PNO-CEPA CALCULATION OF COLLINEAR POTENTIAL-ENERGY BARRIERS FOR THERMONEUTRAL EXCHANGE-REACTIONS
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
BOTSCHWINA, P
MEYER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
MEYER, W
[J].
CHEMICAL PHYSICS,
1977,
20
(01)
: 43
-
52
[2]
TRAJECTORY STUDIES OF HOT-ATOM REACTIONS .1. TRITIUM AND METHANE
BUNKER, DL
论文数:
0
引用数:
0
h-index:
0
BUNKER, DL
PATTENGILL, MD
论文数:
0
引用数:
0
h-index:
0
PATTENGILL, MD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(08)
: 3041
-
+
[3]
ACTIVATED COMPLEXES FHH,CLHH, HFH,HCLH, HFF,HCLCL, FHF,CLHCL TWISTED C2H4 AND CH5. ABINITIO SCF 4-31G CALCULATIONS OF FORCE CONSTANTS OF C2H4 AND CH5, AND CNDO-S CALCULATIONS OF ELECTRONIC-TRANSITION ENERGIES
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
机构:
J. Heyrovský Institute of Physical Chemistry and Electrochemistry, Czechoslovak Academy of Sciences
CARSKY, P
ZAHRADNIK, R
论文数:
0
引用数:
0
h-index:
0
机构:
J. Heyrovský Institute of Physical Chemistry and Electrochemistry, Czechoslovak Academy of Sciences
ZAHRADNIK, R
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1979,
54
(JUL)
: 247
-
255
[4]
ABINITIO CALCULATIONS AND ABSOLUTE RATE THEORY - CRITICAL TEST FOR A SERIES OF ELEMENTARY GAS-PHASE REACTIONS
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
CARSKY, P
ZAHRADNIK, R
论文数:
0
引用数:
0
h-index:
0
ZAHRADNIK, R
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1979,
16
(02)
: 243
-
256
[5]
QUANTUM-MECHANICAL TUNNELLING IN THE PROCESSES D+H2-]DH+H AND CH4+H-]CH3+H2 - ECKART TUNNELLING CORRECTIONS FOR RATE CONSTANTS GIVEN BY ABINITIO CALCULATIONS
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
CARSKY, P
[J].
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS,
1979,
44
(12)
: 3452
-
3457
[6]
EXPLORATORY STUDY OF REACTANT VIBRATIONAL EFFECTS IN CH3 + H2 AND ITS ISOTOPIC VARIANTS
CHAPMAN, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92664
UNIV CALIF,DEPT CHEM,IRVINE,CA 92664
CHAPMAN, S
BUNKER, DL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92664
UNIV CALIF,DEPT CHEM,IRVINE,CA 92664
BUNKER, DL
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(07)
: 2890
-
2899
[7]
SUBSTITUTION REACTION OF 3-EV TRITIUM ATOMS WITH METHANE
CHOU, CC
论文数:
0
引用数:
0
h-index:
0
CHOU, CC
ROWLAND, FS
论文数:
0
引用数:
0
h-index:
0
ROWLAND, FS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1966,
88
(11)
: 2612
-
&
[8]
REACTIONS OF 2.8-EV TRITIUM ATOMS WITH METHANE
CHOU, CC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Kansas, Lawrence, KS
CHOU, CC
ROWLAND, FS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Kansas, Lawrence, KS
ROWLAND, FS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(12)
: 5133
-
+
[9]
THRESHOLD ENERGY FOR SUBSTITUTION OF T FOR D IN CD4
CHOU, CC
论文数:
0
引用数:
0
h-index:
0
CHOU, CC
ROWLAND, FS
论文数:
0
引用数:
0
h-index:
0
ROWLAND, FS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(06)
: 2763
-
&
[10]
CHOU CC, 1971, J PHYS CHEM, V75, P1283
←
1
2
3
4
→