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CONFORMATIONS AND HEATS OF FORMATION OF ORGANIC MOLECULES BY USE OF A MINIMAL SLATER TYPE BASIS
被引:71
作者
:
RADOM, L
论文数:
0
引用数:
0
h-index:
0
RADOM, L
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
机构
:
来源
:
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL
|
1971年
/ 14期
关键词
:
D O I
:
10.1039/j19710002299
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:2299 / &
相关论文
共 13 条
[1]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
[2]
Molecular orbital theory of bond separation
[J].
Ditchfield, R.
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
Ditchfield, R.
;
Hehre, W. J.
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
Hehre, W. J.
;
Pople, J. A.
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, J. A.
;
论文数:
引用数:
h-index:
机构:
Radom, L.
.
CHEMICAL PHYSICS LETTERS,
1970,
5
(01)
:13
-14
[3]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .5. MOLECULAR THEORY OF BOND SEPARATION
[J].
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
;
RADOM, L
论文数:
0
引用数:
0
h-index:
0
RADOM, L
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(16)
:4796
-+
[4]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
[J].
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
HEHRE, WJ
;
STEWART, RF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
STEWART, RF
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
:2657
-+
[5]
THE INFRARED SPECTRUM AND THE STRUCTURE OF GASEOUS NITROUS ACID
[J].
JONES, LH
论文数:
0
引用数:
0
h-index:
0
JONES, LH
;
BADGER, RM
论文数:
0
引用数:
0
h-index:
0
BADGER, RM
;
MOORE, GE
论文数:
0
引用数:
0
h-index:
0
MOORE, GE
.
JOURNAL OF CHEMICAL PHYSICS,
1951,
19
(12)
:1599
-1604
[6]
MICROWAVE SPECTRUM OF METHYLHYDRAZINE - ROTATIONAL ISOMERISM, INTERNAL MOTIONS, DIPOLE MOMENTS, AND QUADRUPOLE COUPLING CONSTANTS
[J].
LATTIMER, RP
论文数:
0
引用数:
0
h-index:
0
LATTIMER, RP
;
HARMONY, MD
论文数:
0
引用数:
0
h-index:
0
HARMONY, MD
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(12)
:4575
-&
[7]
LIDE DR, 1966, T AM CRYSTALLOGR ASS, V2, P106
[8]
INFRARED SPECTRA OF ISOTOPIC NITROUS ACIDS
[J].
MCGRAW, GE
论文数:
0
引用数:
0
h-index:
0
MCGRAW, GE
;
BERNITT, DL
论文数:
0
引用数:
0
h-index:
0
BERNITT, DL
;
HISATSUNE, IC
论文数:
0
引用数:
0
h-index:
0
HISATSUNE, IC
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(05)
:1392
-+
[9]
INTERNAL ROTATION AND INFRARED SPECTRA OF FORMIC ACID MONOMER AND NORMAL COORDINATE TREATMENT OF OUT-OF-PLANE VIBRATIONS OF MONOMER, DIMER, AND POLYMER
[J].
MIYAZAWA, T
论文数:
0
引用数:
0
h-index:
0
MIYAZAWA, T
;
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
PITZER, KS
.
JOURNAL OF CHEMICAL PHYSICS,
1959,
30
(04)
:1076
-1086
[10]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .1. SUBSTITUENT EFFECTS AND DIPOLE MOMENTS
[J].
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
;
GORDON, M
论文数:
0
引用数:
0
h-index:
0
GORDON, M
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1967,
89
(17)
:4253
-&
←
1
2
→
共 13 条
[1]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
[2]
Molecular orbital theory of bond separation
[J].
Ditchfield, R.
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
Ditchfield, R.
;
Hehre, W. J.
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
Hehre, W. J.
;
Pople, J. A.
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, J. A.
;
论文数:
引用数:
h-index:
机构:
Radom, L.
.
CHEMICAL PHYSICS LETTERS,
1970,
5
(01)
:13
-14
[3]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .5. MOLECULAR THEORY OF BOND SEPARATION
[J].
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
;
RADOM, L
论文数:
0
引用数:
0
h-index:
0
RADOM, L
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(16)
:4796
-+
[4]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
[J].
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
HEHRE, WJ
;
STEWART, RF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
STEWART, RF
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
:2657
-+
[5]
THE INFRARED SPECTRUM AND THE STRUCTURE OF GASEOUS NITROUS ACID
[J].
JONES, LH
论文数:
0
引用数:
0
h-index:
0
JONES, LH
;
BADGER, RM
论文数:
0
引用数:
0
h-index:
0
BADGER, RM
;
MOORE, GE
论文数:
0
引用数:
0
h-index:
0
MOORE, GE
.
JOURNAL OF CHEMICAL PHYSICS,
1951,
19
(12)
:1599
-1604
[6]
MICROWAVE SPECTRUM OF METHYLHYDRAZINE - ROTATIONAL ISOMERISM, INTERNAL MOTIONS, DIPOLE MOMENTS, AND QUADRUPOLE COUPLING CONSTANTS
[J].
LATTIMER, RP
论文数:
0
引用数:
0
h-index:
0
LATTIMER, RP
;
HARMONY, MD
论文数:
0
引用数:
0
h-index:
0
HARMONY, MD
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(12)
:4575
-&
[7]
LIDE DR, 1966, T AM CRYSTALLOGR ASS, V2, P106
[8]
INFRARED SPECTRA OF ISOTOPIC NITROUS ACIDS
[J].
MCGRAW, GE
论文数:
0
引用数:
0
h-index:
0
MCGRAW, GE
;
BERNITT, DL
论文数:
0
引用数:
0
h-index:
0
BERNITT, DL
;
HISATSUNE, IC
论文数:
0
引用数:
0
h-index:
0
HISATSUNE, IC
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(05)
:1392
-+
[9]
INTERNAL ROTATION AND INFRARED SPECTRA OF FORMIC ACID MONOMER AND NORMAL COORDINATE TREATMENT OF OUT-OF-PLANE VIBRATIONS OF MONOMER, DIMER, AND POLYMER
[J].
MIYAZAWA, T
论文数:
0
引用数:
0
h-index:
0
MIYAZAWA, T
;
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
PITZER, KS
.
JOURNAL OF CHEMICAL PHYSICS,
1959,
30
(04)
:1076
-1086
[10]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .1. SUBSTITUENT EFFECTS AND DIPOLE MOMENTS
[J].
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
;
GORDON, M
论文数:
0
引用数:
0
h-index:
0
GORDON, M
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1967,
89
(17)
:4253
-&
←
1
2
→