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AN ABINITIO STUDY OF THE ISOTROPIC AND ANISOTROPIC POTENTIAL-ENERGY SURFACES OF THE HE-H2 INTERACTION
被引:22
作者
:
SENFF, UE
论文数:
0
引用数:
0
h-index:
0
SENFF, UE
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
BURTON, PG
机构
:
来源
:
JOURNAL OF PHYSICAL CHEMISTRY
|
1985年
/ 89卷
/ 05期
关键词
:
D O I
:
10.1021/j100251a017
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:797 / 806
页数:10
相关论文
共 63 条
[1]
AHLICHS R, 1977, CHEM PHYS, V19, P119
[2]
PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .1. OUTLINE OF METHOD FOR CLOSED-SHELL STATES
[J].
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
AHLRICHS, R
;
LISCHKA, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
LISCHKA, H
;
STAEMMLER, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
STAEMMLER, V
;
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
KUTZELNIGG, W
.
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(04)
:1225
-1234
[3]
DIFFUSION COEFFICIENTS OF SYSTEMS HE-T2 AND HE-TH
[J].
AMDUR, I
论文数:
0
引用数:
0
h-index:
0
AMDUR, I
;
MALINAUSKAS, AP
论文数:
0
引用数:
0
h-index:
0
MALINAUSKAS, AP
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(10)
:3355
-+
[4]
SCATTERING OF HIGH-VELOCITY NEUTRAL PARTICLES .15. HE-H2 AND HE-D2
[J].
AMDUR, I
论文数:
0
引用数:
0
h-index:
0
AMDUR, I
;
SMITH, AL
论文数:
0
引用数:
0
h-index:
0
SMITH, AL
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(02)
:565
-&
[5]
EXPERIMENTAL STUDY OF VIBRATIONAL-RELAXATION OF ORTHO AND PARA-H2 IN COLLISIONS WITH HE-4 IN RANGE 300-50-K
[J].
AUDIBERT, MM
论文数:
0
引用数:
0
h-index:
0
机构:
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
AUDIBERT, MM
;
VILASECA, R
论文数:
0
引用数:
0
h-index:
0
机构:
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
VILASECA, R
;
LUKASIK, J
论文数:
0
引用数:
0
h-index:
0
机构:
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
LUKASIK, J
;
DUCUING, J
论文数:
0
引用数:
0
h-index:
0
机构:
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
DUCUING, J
.
CHEMICAL PHYSICS LETTERS,
1976,
37
(03)
:408
-411
[6]
CONSTRUCTION OF SOME MOLECULAR ORBITALS TO BE APPROXIMATELY INVARIANT FOR CHANGES FROM ONE MOLECULE TO ANOTHER
[J].
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
.
REVIEWS OF MODERN PHYSICS,
1960,
32
(02)
:296
-299
[7]
CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
[J].
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
;
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
BERNARDI, F
.
MOLECULAR PHYSICS,
1970,
19
(04)
:553
-&
[8]
BASIS SET REFINEMENT IN THEORETICAL MODELING OF MOLECULAR ELECTRONIC-STRUCTURES
[J].
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
BURTON, PG
;
GRAY, PD
论文数:
0
引用数:
0
h-index:
0
GRAY, PD
;
SENFF, UE
论文数:
0
引用数:
0
h-index:
0
SENFF, UE
.
MOLECULAR PHYSICS,
1982,
47
(04)
:785
-809
[9]
FULL CI CALIBRATION OF MODEL HAMILTONIAN, LARGE BASIS SET STUDIES OF THE H2-H2 VANDER WAALS INTERACTION
[J].
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
BURTON, PG
.
CHEMICAL PHYSICS LETTERS,
1983,
100
(01)
:51
-58
[10]
DESIGN OF BASIS SETS FOR PRECISE INTER-MOLECULAR FORCE COMPUTATION - INVESTIGATION OF THE HE-2 POTENTIAL CURVE USING CEPA-PNO CORRELATED WAVEFUNCTIONS
[J].
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
机构:
Chemistry Department, University of Wollongong, Wollongong
BURTON, PG
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(06)
:3112
-3118
←
1
2
3
4
5
6
7
→
共 63 条
[1]
AHLICHS R, 1977, CHEM PHYS, V19, P119
[2]
PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .1. OUTLINE OF METHOD FOR CLOSED-SHELL STATES
[J].
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
AHLRICHS, R
;
LISCHKA, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
LISCHKA, H
;
STAEMMLER, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
STAEMMLER, V
;
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
KUTZELNIGG, W
.
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(04)
:1225
-1234
[3]
DIFFUSION COEFFICIENTS OF SYSTEMS HE-T2 AND HE-TH
[J].
AMDUR, I
论文数:
0
引用数:
0
h-index:
0
AMDUR, I
;
MALINAUSKAS, AP
论文数:
0
引用数:
0
h-index:
0
MALINAUSKAS, AP
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(10)
:3355
-+
[4]
SCATTERING OF HIGH-VELOCITY NEUTRAL PARTICLES .15. HE-H2 AND HE-D2
[J].
AMDUR, I
论文数:
0
引用数:
0
h-index:
0
AMDUR, I
;
SMITH, AL
论文数:
0
引用数:
0
h-index:
0
SMITH, AL
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(02)
:565
-&
[5]
EXPERIMENTAL STUDY OF VIBRATIONAL-RELAXATION OF ORTHO AND PARA-H2 IN COLLISIONS WITH HE-4 IN RANGE 300-50-K
[J].
AUDIBERT, MM
论文数:
0
引用数:
0
h-index:
0
机构:
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
AUDIBERT, MM
;
VILASECA, R
论文数:
0
引用数:
0
h-index:
0
机构:
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
VILASECA, R
;
LUKASIK, J
论文数:
0
引用数:
0
h-index:
0
机构:
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
LUKASIK, J
;
DUCUING, J
论文数:
0
引用数:
0
h-index:
0
机构:
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
ECOLE POLYTECH,CNRS,LAB OPTIQUE QUANT,91120 PALAISEAU,FRANCE
DUCUING, J
.
CHEMICAL PHYSICS LETTERS,
1976,
37
(03)
:408
-411
[6]
CONSTRUCTION OF SOME MOLECULAR ORBITALS TO BE APPROXIMATELY INVARIANT FOR CHANGES FROM ONE MOLECULE TO ANOTHER
[J].
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
.
REVIEWS OF MODERN PHYSICS,
1960,
32
(02)
:296
-299
[7]
CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
[J].
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
;
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
BERNARDI, F
.
MOLECULAR PHYSICS,
1970,
19
(04)
:553
-&
[8]
BASIS SET REFINEMENT IN THEORETICAL MODELING OF MOLECULAR ELECTRONIC-STRUCTURES
[J].
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
BURTON, PG
;
GRAY, PD
论文数:
0
引用数:
0
h-index:
0
GRAY, PD
;
SENFF, UE
论文数:
0
引用数:
0
h-index:
0
SENFF, UE
.
MOLECULAR PHYSICS,
1982,
47
(04)
:785
-809
[9]
FULL CI CALIBRATION OF MODEL HAMILTONIAN, LARGE BASIS SET STUDIES OF THE H2-H2 VANDER WAALS INTERACTION
[J].
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
BURTON, PG
.
CHEMICAL PHYSICS LETTERS,
1983,
100
(01)
:51
-58
[10]
DESIGN OF BASIS SETS FOR PRECISE INTER-MOLECULAR FORCE COMPUTATION - INVESTIGATION OF THE HE-2 POTENTIAL CURVE USING CEPA-PNO CORRELATED WAVEFUNCTIONS
[J].
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
机构:
Chemistry Department, University of Wollongong, Wollongong
BURTON, PG
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(06)
:3112
-3118
←
1
2
3
4
5
6
7
→