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MINDO-FORCES CALCULATION OF MOLECULAR GEOMETRIES AND REACTION PATHS
被引:38
作者
:
KHALIL, SM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BAGHDAD,COLL SCI,DEPT CHEM,BAGHDAD,IRAQ
UNIV BAGHDAD,COLL SCI,DEPT CHEM,BAGHDAD,IRAQ
KHALIL, SM
[
1
]
SHANSHAL, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BAGHDAD,COLL SCI,DEPT CHEM,BAGHDAD,IRAQ
UNIV BAGHDAD,COLL SCI,DEPT CHEM,BAGHDAD,IRAQ
SHANSHAL, M
[
1
]
机构
:
[1]
UNIV BAGHDAD,COLL SCI,DEPT CHEM,BAGHDAD,IRAQ
来源
:
THEORETICA CHIMICA ACTA
|
1977年
/ 46卷
/ 01期
关键词
:
D O I
:
10.1007/BF02401408
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:23 / 37
页数:15
相关论文
共 39 条
[21]
RAPID GEOMETRY OPTIMIZATION FOR SEMI-EMPIRICAL MOLECULAR ORBITAL METHODS
MCIVER, JW
论文数:
0
引用数:
0
h-index:
0
MCIVER, JW
KOMORNICKI, A
论文数:
0
引用数:
0
h-index:
0
KOMORNICKI, A
[J].
CHEMICAL PHYSICS LETTERS,
1971,
10
(03)
: 303
-
+
[22]
MURRELL JN, 1973, J CHEM SOC F2, P69
[23]
COMPUTATIONAL EXPERIENCE WITH QUADRATICALLY CONVERGENT MINIMISATION METHODS
MURTAGH, BA
论文数:
0
引用数:
0
h-index:
0
MURTAGH, BA
SARGENT, RWH
论文数:
0
引用数:
0
h-index:
0
SARGENT, RWH
[J].
COMPUTER JOURNAL,
1970,
13
(02)
: 185
-
&
[24]
Nedler JA, 1965, COMPUT J, V7, P308
[25]
STABLE CARBONIUM IONS .99. BENZENONIUM ION (C6H7+) AND ITS DEGENERATE REARRANGEMENT
OLAH, GA
论文数:
0
引用数:
0
h-index:
0
OLAH, GA
SCHLOSBE.RH
论文数:
0
引用数:
0
h-index:
0
SCHLOSBE.RH
KELLY, DP
论文数:
0
引用数:
0
h-index:
0
KELLY, DP
MATEESCU, GD
论文数:
0
引用数:
0
h-index:
0
MATEESCU, GD
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(08)
: 2546
-
+
[26]
STABLE CARBOCATIONS .114. STRUCTURE OF CYCLOPROPYLCARBINYL AND CYCLOBUTYL CATIONS
OLAH, GA
论文数:
0
引用数:
0
h-index:
0
OLAH, GA
PORTER, RD
论文数:
0
引用数:
0
h-index:
0
PORTER, RD
KELLY, DP
论文数:
0
引用数:
0
h-index:
0
KELLY, DP
JEUELL, CL
论文数:
0
引用数:
0
h-index:
0
JEUELL, CL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(01)
: 146
-
&
[27]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
SANTRY, DP
论文数:
0
引用数:
0
h-index:
0
SANTRY, DP
SEGAL, GA
论文数:
0
引用数:
0
h-index:
0
SEGAL, GA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(10)
: S129
-
+
[28]
APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .5. INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
BEVERIDGE, DL
论文数:
0
引用数:
0
h-index:
0
BEVERIDGE, DL
DOBOSH, PA
论文数:
0
引用数:
0
h-index:
0
DOBOSH, PA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(06)
: 2026
-
+
[29]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
SEGAL, GA
论文数:
0
引用数:
0
h-index:
0
SEGAL, GA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(09)
: 3289
-
&
[30]
POPLE JA, 1970, APPROXIMATE MOLECULA
←
1
2
3
4
→
共 39 条
[21]
RAPID GEOMETRY OPTIMIZATION FOR SEMI-EMPIRICAL MOLECULAR ORBITAL METHODS
MCIVER, JW
论文数:
0
引用数:
0
h-index:
0
MCIVER, JW
KOMORNICKI, A
论文数:
0
引用数:
0
h-index:
0
KOMORNICKI, A
[J].
CHEMICAL PHYSICS LETTERS,
1971,
10
(03)
: 303
-
+
[22]
MURRELL JN, 1973, J CHEM SOC F2, P69
[23]
COMPUTATIONAL EXPERIENCE WITH QUADRATICALLY CONVERGENT MINIMISATION METHODS
MURTAGH, BA
论文数:
0
引用数:
0
h-index:
0
MURTAGH, BA
SARGENT, RWH
论文数:
0
引用数:
0
h-index:
0
SARGENT, RWH
[J].
COMPUTER JOURNAL,
1970,
13
(02)
: 185
-
&
[24]
Nedler JA, 1965, COMPUT J, V7, P308
[25]
STABLE CARBONIUM IONS .99. BENZENONIUM ION (C6H7+) AND ITS DEGENERATE REARRANGEMENT
OLAH, GA
论文数:
0
引用数:
0
h-index:
0
OLAH, GA
SCHLOSBE.RH
论文数:
0
引用数:
0
h-index:
0
SCHLOSBE.RH
KELLY, DP
论文数:
0
引用数:
0
h-index:
0
KELLY, DP
MATEESCU, GD
论文数:
0
引用数:
0
h-index:
0
MATEESCU, GD
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(08)
: 2546
-
+
[26]
STABLE CARBOCATIONS .114. STRUCTURE OF CYCLOPROPYLCARBINYL AND CYCLOBUTYL CATIONS
OLAH, GA
论文数:
0
引用数:
0
h-index:
0
OLAH, GA
PORTER, RD
论文数:
0
引用数:
0
h-index:
0
PORTER, RD
KELLY, DP
论文数:
0
引用数:
0
h-index:
0
KELLY, DP
JEUELL, CL
论文数:
0
引用数:
0
h-index:
0
JEUELL, CL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(01)
: 146
-
&
[27]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
SANTRY, DP
论文数:
0
引用数:
0
h-index:
0
SANTRY, DP
SEGAL, GA
论文数:
0
引用数:
0
h-index:
0
SEGAL, GA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(10)
: S129
-
+
[28]
APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .5. INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
BEVERIDGE, DL
论文数:
0
引用数:
0
h-index:
0
BEVERIDGE, DL
DOBOSH, PA
论文数:
0
引用数:
0
h-index:
0
DOBOSH, PA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(06)
: 2026
-
+
[29]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
SEGAL, GA
论文数:
0
引用数:
0
h-index:
0
SEGAL, GA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(09)
: 3289
-
&
[30]
POPLE JA, 1970, APPROXIMATE MOLECULA
←
1
2
3
4
→