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THE GENERALIZED RESONATING VALENCE BOND METHOD - BARRIER HEIGHTS IN THE HF + D AND HCL + D EXCHANGE-REACTIONS
被引:80
作者
:
VOTER, AF
论文数:
0
引用数:
0
h-index:
0
VOTER, AF
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
GODDARD, WA
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1981年
/ 75卷
/ 07期
关键词
:
D O I
:
10.1063/1.442436
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:3638 / 3639
页数:2
相关论文
共 10 条
[1]
EFFECT OF CHANGING REAGENT ENERGY .10. VIBRATIONAL THRESHOLD ENERGIES FOR ALTERNATIVE REACTION PATHS HF(V)+D-]F+HD AND -]H+DF
BARTOSZEK, FE
论文数:
0
引用数:
0
h-index:
0
BARTOSZEK, FE
MANOS, DM
论文数:
0
引用数:
0
h-index:
0
MANOS, DM
POLANYI, JC
论文数:
0
引用数:
0
h-index:
0
POLANYI, JC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(02)
: 933
-
935
[2]
CRITICAL TEST OF SEMIEMPIRICAL FH2 POTENTIAL-ENERGY SURFACES - BARRIER HEIGHT FOR H + FH HF + H
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(03)
: 1188
-
1190
[3]
BOBROWICZ FW, 1977, MODERN THEORETICAL C, V3, P79
[4]
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
[5]
KINETIC STUDY OF H+HF(V=3) - KINETIC ISOTOPE EFFECT AND TEMPERATURE-DEPENDENCE
BOTT, JF
论文数:
0
引用数:
0
h-index:
0
BOTT, JF
HEIDNER, RF
论文数:
0
引用数:
0
h-index:
0
HEIDNER, RF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
68
(04)
: 1708
-
1714
[6]
BARRIERS FOR ABSTRACTION AND EXCHANGE IN H+HCL
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,CHEM PHYS GRP MS 732,LOS ALAMOS,NM 87545
UNIV CALIF,LOS ALAMOS SCI LAB,CHEM PHYS GRP MS 732,LOS ALAMOS,NM 87545
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(06)
: 2752
-
2753
[7]
SEIGBAHN P, 1978, J CHEM PHYS, V68, P2457
[8]
A METHOD FOR DESCRIBING RESONANCE BETWEEN GENERALIZED VALENCE BOND WAVEFUNCTIONS
VOTER, AF
论文数:
0
引用数:
0
h-index:
0
VOTER, AF
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
GODDARD, WA
[J].
CHEMICAL PHYSICS,
1981,
57
(03)
: 253
-
259
[9]
ACCURATE CHARACTERIZATION OF TRANSITION-STATE GEOMETRY FOR HF+H'-]H+H'F REACTION
WADT, WR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
WADT, WR
WINTER, NW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
WINTER, NW
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
67
(07)
: 3068
-
3073
[10]
SURVEY OF REACTIONS INVOLVING H', H'', AND CL ATOMS
WESTON, RE
论文数:
0
引用数:
0
h-index:
0
WESTON, RE
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(01)
: 61
-
68
←
1
→
共 10 条
[1]
EFFECT OF CHANGING REAGENT ENERGY .10. VIBRATIONAL THRESHOLD ENERGIES FOR ALTERNATIVE REACTION PATHS HF(V)+D-]F+HD AND -]H+DF
BARTOSZEK, FE
论文数:
0
引用数:
0
h-index:
0
BARTOSZEK, FE
MANOS, DM
论文数:
0
引用数:
0
h-index:
0
MANOS, DM
POLANYI, JC
论文数:
0
引用数:
0
h-index:
0
POLANYI, JC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(02)
: 933
-
935
[2]
CRITICAL TEST OF SEMIEMPIRICAL FH2 POTENTIAL-ENERGY SURFACES - BARRIER HEIGHT FOR H + FH HF + H
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(03)
: 1188
-
1190
[3]
BOBROWICZ FW, 1977, MODERN THEORETICAL C, V3, P79
[4]
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
[5]
KINETIC STUDY OF H+HF(V=3) - KINETIC ISOTOPE EFFECT AND TEMPERATURE-DEPENDENCE
BOTT, JF
论文数:
0
引用数:
0
h-index:
0
BOTT, JF
HEIDNER, RF
论文数:
0
引用数:
0
h-index:
0
HEIDNER, RF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
68
(04)
: 1708
-
1714
[6]
BARRIERS FOR ABSTRACTION AND EXCHANGE IN H+HCL
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,CHEM PHYS GRP MS 732,LOS ALAMOS,NM 87545
UNIV CALIF,LOS ALAMOS SCI LAB,CHEM PHYS GRP MS 732,LOS ALAMOS,NM 87545
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(06)
: 2752
-
2753
[7]
SEIGBAHN P, 1978, J CHEM PHYS, V68, P2457
[8]
A METHOD FOR DESCRIBING RESONANCE BETWEEN GENERALIZED VALENCE BOND WAVEFUNCTIONS
VOTER, AF
论文数:
0
引用数:
0
h-index:
0
VOTER, AF
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
GODDARD, WA
[J].
CHEMICAL PHYSICS,
1981,
57
(03)
: 253
-
259
[9]
ACCURATE CHARACTERIZATION OF TRANSITION-STATE GEOMETRY FOR HF+H'-]H+H'F REACTION
WADT, WR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
WADT, WR
WINTER, NW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
WINTER, NW
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
67
(07)
: 3068
-
3073
[10]
SURVEY OF REACTIONS INVOLVING H', H'', AND CL ATOMS
WESTON, RE
论文数:
0
引用数:
0
h-index:
0
WESTON, RE
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(01)
: 61
-
68
←
1
→