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FUNCTIONAL REPRESENTATION OF LIU AND SIEGBAHNS ACCURATE ABINITIO POTENTIAL-ENERGY CALCULATIONS FOR H+H2
被引:731
作者
:
Truhlar, DG
论文数:
0
引用数:
0
h-index:
0
Truhlar, DG
Horowitz, CJ
论文数:
0
引用数:
0
h-index:
0
Horowitz, CJ
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1978年
/ 68卷
/ 05期
关键词
:
D O I
:
10.1063/1.436019
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:2466 / 2476
页数:11
相关论文
共 42 条
[1]
MONTE-CARLO TRAJECTORY STUDY OF AR+H2 COLLISIONS .1. POTENTIAL-ENERGY SURFACE AND CROSS-SECTIONS FOR DISSOCIATION, RECOMBINATION, AND INELASTIC-SCATTERING
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 USA
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 USA
TRUHLAR, DG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(12)
: 5335
-
5356
[2]
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
[3]
EMPIRICAL EVALUATION OF LONDON POTENTIAL ENERGY SURFACE FOR H PLUS H2 REACTION
CASHION, JK
论文数:
0
引用数:
0
h-index:
0
CASHION, JK
HERSCHBACH, DR
论文数:
0
引用数:
0
h-index:
0
HERSCHBACH, DR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1964,
40
(08)
: 2358
-
&
[4]
INELASTIC-COLLISIONS BETWEEN AN ATOM AND A DIATOMIC MOLECULE .3. COMPARISON OF APPROXIMATION METHODS AS APPLIED TO H+H-2 ROTATIONAL EXCITATION
CHOI, BH
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC LUTHERAN UNIV,DEPT PHYS,TACOMA,WA 98447
CHOI, BH
TANG, KT
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC LUTHERAN UNIV,DEPT PHYS,TACOMA,WA 98447
TANG, KT
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(03)
: 942
-
945
[5]
INELASTIC-COLLISIONS BETWEEN AN ATOM AND A DIATOMIC MOLECULE .2. H+H2 ROTATIONAL EXCITATION
CHOI, BH
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC LUTHERAN UNIV, DEPT PHYS, TACOMA, WA 98447 USA
PACIFIC LUTHERAN UNIV, DEPT PHYS, TACOMA, WA 98447 USA
CHOI, BH
TANG, KT
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC LUTHERAN UNIV, DEPT PHYS, TACOMA, WA 98447 USA
PACIFIC LUTHERAN UNIV, DEPT PHYS, TACOMA, WA 98447 USA
TANG, KT
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(05)
: 1783
-
1796
[6]
Cohen E. R., 1973, Journal of Physical and Chemical Reference Data, V2, P663, DOI 10.1063/1.3253130
[7]
ROTATIONAL EXCITATION OF H2 AND D2 BY H IMPACT
DALGARNO, A
论文数:
0
引用数:
0
h-index:
0
DALGARNO, A
HENRY, RJW
论文数:
0
引用数:
0
h-index:
0
HENRY, RJW
ROBERTS, CS
论文数:
0
引用数:
0
h-index:
0
ROBERTS, CS
[J].
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON,
1966,
88
(561P):
: 611
-
&
[8]
MOLECULAR-BEAM MEASUREMENTS OF D-H2 POTENTIAL AND RECALIBRATION OF REACTIVE CROSS-SECTION
GENGENBACH, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,PHYS INST,BONN,FED REP GER
GENGENBACH, R
HAHN, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,PHYS INST,BONN,FED REP GER
HAHN, C
TOENNIES, JP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,PHYS INST,BONN,FED REP GER
TOENNIES, JP
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(09)
: 3620
-
3630
[9]
SPLINE-FITTED POTENTIAL SURFACE FOR BENT TRIATOMIC-MOLECULES
GRAY, SK
论文数:
0
引用数:
0
h-index:
0
机构:
CARLETON UNIV,DEPT CHEM,OTTAWA K1S 5B6,ONTARIO,CANADA
GRAY, SK
WRIGHT, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARLETON UNIV,DEPT CHEM,OTTAWA K1S 5B6,ONTARIO,CANADA
WRIGHT, JS
[J].
CHEMICAL PHYSICS LETTERS,
1977,
48
(01)
: 155
-
157
[10]
CLASSICAL TRAJECTORIES FOR H+H2 REACTION ON A SPLINE-GENERATED POTENTIAL-ENERGY SURFACE
GRAY, SK
论文数:
0
引用数:
0
h-index:
0
机构:
CARLETON UNIV,DEPT CHEM,OTTAWA K1S 5B6,ONTARIO,CANADA
CARLETON UNIV,DEPT CHEM,OTTAWA K1S 5B6,ONTARIO,CANADA
GRAY, SK
WRIGHT, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARLETON UNIV,DEPT CHEM,OTTAWA K1S 5B6,ONTARIO,CANADA
CARLETON UNIV,DEPT CHEM,OTTAWA K1S 5B6,ONTARIO,CANADA
WRIGHT, JS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(07)
: 2867
-
2873
←
1
2
3
4
5
→
共 42 条
[1]
MONTE-CARLO TRAJECTORY STUDY OF AR+H2 COLLISIONS .1. POTENTIAL-ENERGY SURFACE AND CROSS-SECTIONS FOR DISSOCIATION, RECOMBINATION, AND INELASTIC-SCATTERING
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 USA
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 USA
TRUHLAR, DG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(12)
: 5335
-
5356
[2]
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
[3]
EMPIRICAL EVALUATION OF LONDON POTENTIAL ENERGY SURFACE FOR H PLUS H2 REACTION
CASHION, JK
论文数:
0
引用数:
0
h-index:
0
CASHION, JK
HERSCHBACH, DR
论文数:
0
引用数:
0
h-index:
0
HERSCHBACH, DR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1964,
40
(08)
: 2358
-
&
[4]
INELASTIC-COLLISIONS BETWEEN AN ATOM AND A DIATOMIC MOLECULE .3. COMPARISON OF APPROXIMATION METHODS AS APPLIED TO H+H-2 ROTATIONAL EXCITATION
CHOI, BH
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC LUTHERAN UNIV,DEPT PHYS,TACOMA,WA 98447
CHOI, BH
TANG, KT
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC LUTHERAN UNIV,DEPT PHYS,TACOMA,WA 98447
TANG, KT
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(03)
: 942
-
945
[5]
INELASTIC-COLLISIONS BETWEEN AN ATOM AND A DIATOMIC MOLECULE .2. H+H2 ROTATIONAL EXCITATION
CHOI, BH
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC LUTHERAN UNIV, DEPT PHYS, TACOMA, WA 98447 USA
PACIFIC LUTHERAN UNIV, DEPT PHYS, TACOMA, WA 98447 USA
CHOI, BH
TANG, KT
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC LUTHERAN UNIV, DEPT PHYS, TACOMA, WA 98447 USA
PACIFIC LUTHERAN UNIV, DEPT PHYS, TACOMA, WA 98447 USA
TANG, KT
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(05)
: 1783
-
1796
[6]
Cohen E. R., 1973, Journal of Physical and Chemical Reference Data, V2, P663, DOI 10.1063/1.3253130
[7]
ROTATIONAL EXCITATION OF H2 AND D2 BY H IMPACT
DALGARNO, A
论文数:
0
引用数:
0
h-index:
0
DALGARNO, A
HENRY, RJW
论文数:
0
引用数:
0
h-index:
0
HENRY, RJW
ROBERTS, CS
论文数:
0
引用数:
0
h-index:
0
ROBERTS, CS
[J].
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON,
1966,
88
(561P):
: 611
-
&
[8]
MOLECULAR-BEAM MEASUREMENTS OF D-H2 POTENTIAL AND RECALIBRATION OF REACTIVE CROSS-SECTION
GENGENBACH, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,PHYS INST,BONN,FED REP GER
GENGENBACH, R
HAHN, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,PHYS INST,BONN,FED REP GER
HAHN, C
TOENNIES, JP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,PHYS INST,BONN,FED REP GER
TOENNIES, JP
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(09)
: 3620
-
3630
[9]
SPLINE-FITTED POTENTIAL SURFACE FOR BENT TRIATOMIC-MOLECULES
GRAY, SK
论文数:
0
引用数:
0
h-index:
0
机构:
CARLETON UNIV,DEPT CHEM,OTTAWA K1S 5B6,ONTARIO,CANADA
GRAY, SK
WRIGHT, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARLETON UNIV,DEPT CHEM,OTTAWA K1S 5B6,ONTARIO,CANADA
WRIGHT, JS
[J].
CHEMICAL PHYSICS LETTERS,
1977,
48
(01)
: 155
-
157
[10]
CLASSICAL TRAJECTORIES FOR H+H2 REACTION ON A SPLINE-GENERATED POTENTIAL-ENERGY SURFACE
GRAY, SK
论文数:
0
引用数:
0
h-index:
0
机构:
CARLETON UNIV,DEPT CHEM,OTTAWA K1S 5B6,ONTARIO,CANADA
CARLETON UNIV,DEPT CHEM,OTTAWA K1S 5B6,ONTARIO,CANADA
GRAY, SK
WRIGHT, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARLETON UNIV,DEPT CHEM,OTTAWA K1S 5B6,ONTARIO,CANADA
CARLETON UNIV,DEPT CHEM,OTTAWA K1S 5B6,ONTARIO,CANADA
WRIGHT, JS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(07)
: 2867
-
2873
←
1
2
3
4
5
→