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 FORCE-FIELD OF HYDROGEN-FLUORIDE DIMER
被引:97
作者
:
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,COLUMBUS,OH 43201
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,COLUMBUS,OH 43201
POPLE, JA
机构
:
[1]
BATTELLE MEM INST,COLUMBUS LABS,COLUMBUS,OH 43201
[2]
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
来源
:
JOURNAL OF MOLECULAR SPECTROSCOPY
|
1976年
/ 61卷
/ 01期
关键词
:
D O I
:
10.1016/0022-2852(76)90376-3
中图分类号
:
O64 [物理化学(理论化学)、化学物理学];
O56 [分子物理学、原子物理学];
学科分类号
:
070203 ;
070304 ;
081704 ;
1406 ;
摘要
:
引用
收藏
页码:1 / 10
页数:10
相关论文
共 20 条
[1]
COUZI M, 1960, J CHIM PHYS PCB, V66, P1309
[2]
AB-INITIO CALCULATION OF VIBRATIONAL FORCE-FIELD OF WATER DIMER
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
POPLE, JA
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1975,
55
(1-3)
: 1
-
14
[3]
MOLECULAR-ORBITAL CALCULATION OF SOME VIBRATIONAL PROPERTIES OF COMPLEX BETWEEN HCN AND HF
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1973,
48
(03)
: 413
-
426
[4]
Decius J. C., 1955, MOLECULAR VIBRATIONS
[5]
THEORY OF MOLECULAR INTERACTIONS .1. MOLECULAR ORBITAL STUDIES OF WATER POLYMERS USING A MINIMAL SLATER-TYPE BASIS
DELBENE, J
论文数:
0
引用数:
0
h-index:
0
DELBENE, J
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(09)
: 4858
-
+
[6]
DELBENE JE, 1971, J CHEM PHYS, V55, P2296, DOI 10.1063/1.1676408
[7]
SCF MO LCGO studies on hydrogen bonding: The hydrogen fluoride dimer
Diercksen, Geerd H. F.
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Inst Phys & Astrophys, D-8000 Munich 23, Germany
Max Planck Inst Phys & Astrophys, D-8000 Munich 23, Germany
Diercksen, Geerd H. F.
Eraemer, Wolfgang P.
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Inst Phys & Astrophys, D-8000 Munich 23, Germany
Max Planck Inst Phys & Astrophys, D-8000 Munich 23, Germany
Eraemer, Wolfgang P.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
6
(05)
: 419
-
422
[8]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[9]
RADIOFREQUENCY AND MICROWAVE-SPECTRUM OF HYDROGEN-FLUORIDE DIMER - NONRIGID MOLECULE
DYKE, TR
论文数:
0
引用数:
0
h-index:
0
DYKE, TR
HOWARD, BJ
论文数:
0
引用数:
0
h-index:
0
HOWARD, BJ
KLEMPERER, W
论文数:
0
引用数:
0
h-index:
0
KLEMPERER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(05)
: 2442
-
+
[10]
EFFECT OF D-FUNCTIONS ON MOLECULAR-ORBITAL ENERGIES FOR HYDROCARBONS
HARIHARAN, PC
论文数:
0
引用数:
0
h-index:
0
HARIHARAN, PC
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
CHEMICAL PHYSICS LETTERS,
1972,
16
(02)
: 217
-
+
←
1
2
→
共 20 条
[1]
COUZI M, 1960, J CHIM PHYS PCB, V66, P1309
[2]
AB-INITIO CALCULATION OF VIBRATIONAL FORCE-FIELD OF WATER DIMER
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
POPLE, JA
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1975,
55
(1-3)
: 1
-
14
[3]
MOLECULAR-ORBITAL CALCULATION OF SOME VIBRATIONAL PROPERTIES OF COMPLEX BETWEEN HCN AND HF
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1973,
48
(03)
: 413
-
426
[4]
Decius J. C., 1955, MOLECULAR VIBRATIONS
[5]
THEORY OF MOLECULAR INTERACTIONS .1. MOLECULAR ORBITAL STUDIES OF WATER POLYMERS USING A MINIMAL SLATER-TYPE BASIS
DELBENE, J
论文数:
0
引用数:
0
h-index:
0
DELBENE, J
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(09)
: 4858
-
+
[6]
DELBENE JE, 1971, J CHEM PHYS, V55, P2296, DOI 10.1063/1.1676408
[7]
SCF MO LCGO studies on hydrogen bonding: The hydrogen fluoride dimer
Diercksen, Geerd H. F.
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Inst Phys & Astrophys, D-8000 Munich 23, Germany
Max Planck Inst Phys & Astrophys, D-8000 Munich 23, Germany
Diercksen, Geerd H. F.
Eraemer, Wolfgang P.
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Inst Phys & Astrophys, D-8000 Munich 23, Germany
Max Planck Inst Phys & Astrophys, D-8000 Munich 23, Germany
Eraemer, Wolfgang P.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
6
(05)
: 419
-
422
[8]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[9]
RADIOFREQUENCY AND MICROWAVE-SPECTRUM OF HYDROGEN-FLUORIDE DIMER - NONRIGID MOLECULE
DYKE, TR
论文数:
0
引用数:
0
h-index:
0
DYKE, TR
HOWARD, BJ
论文数:
0
引用数:
0
h-index:
0
HOWARD, BJ
KLEMPERER, W
论文数:
0
引用数:
0
h-index:
0
KLEMPERER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(05)
: 2442
-
+
[10]
EFFECT OF D-FUNCTIONS ON MOLECULAR-ORBITAL ENERGIES FOR HYDROCARBONS
HARIHARAN, PC
论文数:
0
引用数:
0
h-index:
0
HARIHARAN, PC
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
CHEMICAL PHYSICS LETTERS,
1972,
16
(02)
: 217
-
+
←
1
2
→