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NEGLECT OF DIFFERENTIAL OVERLAP IN CALCULATIONS OF BARRIERS TO INVERSION AND AN EXTENSION OF INDO TO CALCULATIONS INVOLVING SECOND ROW ATOMS
被引:25
作者
:
STEVENSON, PE
论文数:
0
引用数:
0
h-index:
0
机构:
WORCESTER POLYTECH INST, DEPT CHEM, WORCESTER, MA 01609 USA
WORCESTER POLYTECH INST, DEPT CHEM, WORCESTER, MA 01609 USA
STEVENSON, PE
[
1
]
BURKEY, DL
论文数:
0
引用数:
0
h-index:
0
机构:
WORCESTER POLYTECH INST, DEPT CHEM, WORCESTER, MA 01609 USA
WORCESTER POLYTECH INST, DEPT CHEM, WORCESTER, MA 01609 USA
BURKEY, DL
[
1
]
机构
:
[1]
WORCESTER POLYTECH INST, DEPT CHEM, WORCESTER, MA 01609 USA
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1974年
/ 96卷
/ 10期
关键词
:
D O I
:
10.1021/ja00817a007
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:3061 / 3064
页数:4
相关论文
共 27 条
[1]
ADEQUACY OF MOLECULAR-ORBITAL APPROXIMATION FOR PREDICTING ROTATION AND INVERSION BARRIERS
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
ARENTS, J
论文数:
0
引用数:
0
h-index:
0
ARENTS, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(05)
: 1818
-
&
[2]
ANDERSON WA, IN PRESS
[3]
BUSHWELLER CH, IN PRESS
[4]
DOBOSH PA, 141 QUANT CHEM PROGR
[5]
Geometry and barriers to internal rotation in Hartree-Fock theory
Freed, K. F.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Manchester, Dept Theoret Phys, Manchester M13 9PL, Lancs, England
Univ Manchester, Dept Theoret Phys, Manchester M13 9PL, Lancs, England
Freed, K. F.
[J].
CHEMICAL PHYSICS LETTERS,
1968,
2
(04)
: 255
-
256
[6]
A MOLECULAR ORBITAL STUDY OF ISOMERIZATION MECHANISM OF DIAZACUMULENES
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
GORDON, MS
FISCHER, H
论文数:
0
引用数:
0
h-index:
0
FISCHER, H
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1968,
90
(10)
: 2471
-
&
[7]
THE MOLECULAR STRUCTURE OF TRISILYLAMINE (SIH3)3N
HEDBERG, K
论文数:
0
引用数:
0
h-index:
0
HEDBERG, K
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1955,
77
(24)
: 6491
-
6492
[8]
AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
HOFFMANN, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(06)
: 1397
-
&
[9]
MOORE CE, 1949, NBS467 CIRC
[10]
MOLECULAR ORBITAL THEORY FOR LARGE MOLECULES . APPROXIMATION OF SCF LCAO HAMILTONIAN MATRIX
NEWTON, MD
论文数:
0
引用数:
0
h-index:
0
NEWTON, MD
BOER, FP
论文数:
0
引用数:
0
h-index:
0
BOER, FP
LIPSCOMB, WN
论文数:
0
引用数:
0
h-index:
0
LIPSCOMB, WN
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1966,
88
(11)
: 2353
-
&
←
1
2
3
→
共 27 条
[1]
ADEQUACY OF MOLECULAR-ORBITAL APPROXIMATION FOR PREDICTING ROTATION AND INVERSION BARRIERS
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
ARENTS, J
论文数:
0
引用数:
0
h-index:
0
ARENTS, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(05)
: 1818
-
&
[2]
ANDERSON WA, IN PRESS
[3]
BUSHWELLER CH, IN PRESS
[4]
DOBOSH PA, 141 QUANT CHEM PROGR
[5]
Geometry and barriers to internal rotation in Hartree-Fock theory
Freed, K. F.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Manchester, Dept Theoret Phys, Manchester M13 9PL, Lancs, England
Univ Manchester, Dept Theoret Phys, Manchester M13 9PL, Lancs, England
Freed, K. F.
[J].
CHEMICAL PHYSICS LETTERS,
1968,
2
(04)
: 255
-
256
[6]
A MOLECULAR ORBITAL STUDY OF ISOMERIZATION MECHANISM OF DIAZACUMULENES
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
GORDON, MS
FISCHER, H
论文数:
0
引用数:
0
h-index:
0
FISCHER, H
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1968,
90
(10)
: 2471
-
&
[7]
THE MOLECULAR STRUCTURE OF TRISILYLAMINE (SIH3)3N
HEDBERG, K
论文数:
0
引用数:
0
h-index:
0
HEDBERG, K
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1955,
77
(24)
: 6491
-
6492
[8]
AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
HOFFMANN, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(06)
: 1397
-
&
[9]
MOORE CE, 1949, NBS467 CIRC
[10]
MOLECULAR ORBITAL THEORY FOR LARGE MOLECULES . APPROXIMATION OF SCF LCAO HAMILTONIAN MATRIX
NEWTON, MD
论文数:
0
引用数:
0
h-index:
0
NEWTON, MD
BOER, FP
论文数:
0
引用数:
0
h-index:
0
BOER, FP
LIPSCOMB, WN
论文数:
0
引用数:
0
h-index:
0
LIPSCOMB, WN
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1966,
88
(11)
: 2353
-
&
←
1
2
3
→