学术探索
学术期刊
新闻热点
数据分析
智能评审
立即登录
THE STRUCTURE OF N-ALKANES - HIGH-PRECISION ABINITIO CALCULATION AND RELATION TO VIBRATIONAL-SPECTRA
被引:80
作者
:
ALJIBURY, AL
论文数:
0
引用数:
0
h-index:
0
机构:
AT&T BELL LABS, MURRAY HILL, NJ 07974 USA
AT&T BELL LABS, MURRAY HILL, NJ 07974 USA
ALJIBURY, AL
[
1
]
SNYDER, RG
论文数:
0
引用数:
0
h-index:
0
机构:
AT&T BELL LABS, MURRAY HILL, NJ 07974 USA
AT&T BELL LABS, MURRAY HILL, NJ 07974 USA
SNYDER, RG
[
1
]
STRAUSS, HL
论文数:
0
引用数:
0
h-index:
0
机构:
AT&T BELL LABS, MURRAY HILL, NJ 07974 USA
AT&T BELL LABS, MURRAY HILL, NJ 07974 USA
STRAUSS, HL
[
1
]
RAGHAVACHARI, K
论文数:
0
引用数:
0
h-index:
0
机构:
AT&T BELL LABS, MURRAY HILL, NJ 07974 USA
AT&T BELL LABS, MURRAY HILL, NJ 07974 USA
RAGHAVACHARI, K
[
1
]
机构
:
[1]
AT&T BELL LABS, MURRAY HILL, NJ 07974 USA
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1986年
/ 84卷
/ 12期
关键词
:
D O I
:
10.1063/1.450691
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:6872 / 6878
页数:7
相关论文
共 31 条
[1]
A Relation Between Internuclear Distances and Bond Force Constants
Badger, Richard M.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Gates Chem Lab, Pasadena, CA USA
CALTECH, Gates Chem Lab, Pasadena, CA USA
Badger, Richard M.
[J].
JOURNAL OF CHEMICAL PHYSICS,
1934,
2
(03)
[2]
STRUCTURE AND ROTATIONAL ISOMERIZATION OF FREE HYDROCARBON CHAINS
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
BARTELL, LS
KOHL, DA
论文数:
0
引用数:
0
h-index:
0
KOHL, DA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(11)
: 3097
-
&
[3]
MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES
BINKLEY, JS
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
BINKLEY, JS
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].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1975,
9
(02)
: 229
-
236
[4]
APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .1. EQUILIBRIUM STRUCTURE AND FORCE CONSTANTS OF HYDROCARBONS
BLOM, CE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
BLOM, CE
SLINGERLAND, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
SLINGERLAND, PJ
ALTONA, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
ALTONA, C
[J].
MOLECULAR PHYSICS,
1976,
31
(05)
: 1359
-
1376
[5]
MOLECULAR-STRUCTURE OF NORMAL-BUTANE - CALCULATION OF VIBRATIONAL SHRINKAGES AND AN ELECTRON-DIFFRACTION REINVESTIGATION
BRADFORD, WF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MICHIGAN,DEPT CHEM,ANN ARBOR,MI 48109
UNIV MICHIGAN,DEPT CHEM,ANN ARBOR,MI 48109
BRADFORD, WF
FITZWATER, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MICHIGAN,DEPT CHEM,ANN ARBOR,MI 48109
UNIV MICHIGAN,DEPT CHEM,ANN ARBOR,MI 48109
FITZWATER, S
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MICHIGAN,DEPT CHEM,ANN ARBOR,MI 48109
UNIV MICHIGAN,DEPT CHEM,ANN ARBOR,MI 48109
BARTELL, LS
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1977,
38
(MAY)
: 185
-
194
[6]
DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013
[7]
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
-
+
[8]
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
-
+
[9]
ELECTRON-DIFFRACTION STUDIES OF SUPERSONIC JETS .4. CONFORMATIONAL COOLING OF NORMAL-BUTANE
HEENAN, RK
论文数:
0
引用数:
0
h-index:
0
HEENAN, RK
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
BARTELL, LS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(03)
: 1270
-
1274
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(05)
: 2257
-
+
←
1
2
3
4
→
共 31 条
[1]
A Relation Between Internuclear Distances and Bond Force Constants
Badger, Richard M.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Gates Chem Lab, Pasadena, CA USA
CALTECH, Gates Chem Lab, Pasadena, CA USA
Badger, Richard M.
[J].
JOURNAL OF CHEMICAL PHYSICS,
1934,
2
(03)
[2]
STRUCTURE AND ROTATIONAL ISOMERIZATION OF FREE HYDROCARBON CHAINS
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
BARTELL, LS
KOHL, DA
论文数:
0
引用数:
0
h-index:
0
KOHL, DA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(11)
: 3097
-
&
[3]
MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES
BINKLEY, JS
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
BINKLEY, JS
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].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1975,
9
(02)
: 229
-
236
[4]
APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .1. EQUILIBRIUM STRUCTURE AND FORCE CONSTANTS OF HYDROCARBONS
BLOM, CE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
BLOM, CE
SLINGERLAND, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
SLINGERLAND, PJ
ALTONA, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
ALTONA, C
[J].
MOLECULAR PHYSICS,
1976,
31
(05)
: 1359
-
1376
[5]
MOLECULAR-STRUCTURE OF NORMAL-BUTANE - CALCULATION OF VIBRATIONAL SHRINKAGES AND AN ELECTRON-DIFFRACTION REINVESTIGATION
BRADFORD, WF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MICHIGAN,DEPT CHEM,ANN ARBOR,MI 48109
UNIV MICHIGAN,DEPT CHEM,ANN ARBOR,MI 48109
BRADFORD, WF
FITZWATER, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MICHIGAN,DEPT CHEM,ANN ARBOR,MI 48109
UNIV MICHIGAN,DEPT CHEM,ANN ARBOR,MI 48109
FITZWATER, S
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MICHIGAN,DEPT CHEM,ANN ARBOR,MI 48109
UNIV MICHIGAN,DEPT CHEM,ANN ARBOR,MI 48109
BARTELL, LS
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1977,
38
(MAY)
: 185
-
194
[6]
DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013
[7]
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
-
+
[8]
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
-
+
[9]
ELECTRON-DIFFRACTION STUDIES OF SUPERSONIC JETS .4. CONFORMATIONAL COOLING OF NORMAL-BUTANE
HEENAN, RK
论文数:
0
引用数:
0
h-index:
0
HEENAN, RK
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
BARTELL, LS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(03)
: 1270
-
1274
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(05)
: 2257
-
+
←
1
2
3
4
→