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CNDO MOLECULAR-ORBITAL CALCULATIONS - INVARIANCE OF METHODS FOR SECOND ROW ELEMENTS
被引:25
作者
:
SABIN, JR
论文数:
0
引用数:
0
h-index:
0
SABIN, JR
SANTRY, DP
论文数:
0
引用数:
0
h-index:
0
SANTRY, DP
WEISS, K
论文数:
0
引用数:
0
h-index:
0
WEISS, K
机构
:
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1972年
/ 94卷
/ 19期
关键词
:
D O I
:
10.1021/ja00774a014
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:6651 / &
相关论文
共 12 条
[1]
SOME INDO CALCULATIONS OF PROPERTIES OF MOLECULAR COMPLEXES
CARREIRA, LA
论文数:
0
引用数:
0
h-index:
0
CARREIRA, LA
PERSON, WB
论文数:
0
引用数:
0
h-index:
0
PERSON, WB
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(05)
: 1485
-
&
[2]
ALL-VALENCE-ELECTRON SEMIEMPIRICAL SELF-CONSISTENT FIELD CALCULATIONS
JAFFE, HH
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Cincinnati, Cincinnati
JAFFE, HH
[J].
ACCOUNTS OF CHEMICAL RESEARCH,
1969,
2
(05)
: 136
-
&
[3]
JUG K, 1971, INT J QUANTUM CHEM S, V3, P651
[4]
CNDO MOLECULAR-ORBITAL THEORY OF MOLECULAR SPECTRA .3. CALCULATIONS FOR FLUOROSULFATE RADICAL
KING, GW
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, McMaster University, Hamilton, Ont.
KING, GW
SANTRY, DP
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, McMaster University, Hamilton, Ont.
SANTRY, DP
WARREN, CH
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, McMaster University, Hamilton, Ont.
WARREN, CH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(10)
: 4565
-
&
[5]
MOLECULAR ORBITAL AND MAPPING STUDY OF ALLOWED DIELS-ALDER REACTIONS OF FURAN, THIOPHENE, AND THIOPHENE DIOXIDE
LERT, PW
论文数:
0
引用数:
0
h-index:
0
LERT, PW
TRINDLE, C
论文数:
0
引用数:
0
h-index:
0
TRINDLE, C
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(24)
: 6392
-
&
[6]
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
-
+
[7]
POPLE JA, 1970, APPROXIMATE MOLECULA
[8]
SEMIEMPIRICAL CALCULATION OF BARRIERS TO PYRAMIDAL INVERSION FOR FIRST-ROW AND SECOND-ROW ELEMENTS
RAUK, A
论文数:
0
引用数:
0
h-index:
0
RAUK, A
ANDOSE, JD
论文数:
0
引用数:
0
h-index:
0
ANDOSE, JD
FRICK, WG
论文数:
0
引用数:
0
h-index:
0
FRICK, WG
TANG, R
论文数:
0
引用数:
0
h-index:
0
TANG, R
MISLOW, K
论文数:
0
引用数:
0
h-index:
0
MISLOW, K
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(24)
: 6507
-
&
[9]
HYDROGEN BONDS INVOLVING SULFUR .1. HYDROGEN SULFIDE DIMER
SABIN, JR
论文数:
0
引用数:
0
h-index:
0
SABIN, JR
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(15)
: 3613
-
&
[10]
COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP CALCULATIONS ON 2ND-ROW MOLECULES
SANTRY, DP
论文数:
0
引用数:
0
h-index:
0
SANTRY, DP
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1968,
90
(13)
: 3309
-
&
←
1
2
→
共 12 条
[1]
SOME INDO CALCULATIONS OF PROPERTIES OF MOLECULAR COMPLEXES
CARREIRA, LA
论文数:
0
引用数:
0
h-index:
0
CARREIRA, LA
PERSON, WB
论文数:
0
引用数:
0
h-index:
0
PERSON, WB
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(05)
: 1485
-
&
[2]
ALL-VALENCE-ELECTRON SEMIEMPIRICAL SELF-CONSISTENT FIELD CALCULATIONS
JAFFE, HH
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Cincinnati, Cincinnati
JAFFE, HH
[J].
ACCOUNTS OF CHEMICAL RESEARCH,
1969,
2
(05)
: 136
-
&
[3]
JUG K, 1971, INT J QUANTUM CHEM S, V3, P651
[4]
CNDO MOLECULAR-ORBITAL THEORY OF MOLECULAR SPECTRA .3. CALCULATIONS FOR FLUOROSULFATE RADICAL
KING, GW
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, McMaster University, Hamilton, Ont.
KING, GW
SANTRY, DP
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, McMaster University, Hamilton, Ont.
SANTRY, DP
WARREN, CH
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, McMaster University, Hamilton, Ont.
WARREN, CH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(10)
: 4565
-
&
[5]
MOLECULAR ORBITAL AND MAPPING STUDY OF ALLOWED DIELS-ALDER REACTIONS OF FURAN, THIOPHENE, AND THIOPHENE DIOXIDE
LERT, PW
论文数:
0
引用数:
0
h-index:
0
LERT, PW
TRINDLE, C
论文数:
0
引用数:
0
h-index:
0
TRINDLE, C
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(24)
: 6392
-
&
[6]
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
-
+
[7]
POPLE JA, 1970, APPROXIMATE MOLECULA
[8]
SEMIEMPIRICAL CALCULATION OF BARRIERS TO PYRAMIDAL INVERSION FOR FIRST-ROW AND SECOND-ROW ELEMENTS
RAUK, A
论文数:
0
引用数:
0
h-index:
0
RAUK, A
ANDOSE, JD
论文数:
0
引用数:
0
h-index:
0
ANDOSE, JD
FRICK, WG
论文数:
0
引用数:
0
h-index:
0
FRICK, WG
TANG, R
论文数:
0
引用数:
0
h-index:
0
TANG, R
MISLOW, K
论文数:
0
引用数:
0
h-index:
0
MISLOW, K
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(24)
: 6507
-
&
[9]
HYDROGEN BONDS INVOLVING SULFUR .1. HYDROGEN SULFIDE DIMER
SABIN, JR
论文数:
0
引用数:
0
h-index:
0
SABIN, JR
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(15)
: 3613
-
&
[10]
COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP CALCULATIONS ON 2ND-ROW MOLECULES
SANTRY, DP
论文数:
0
引用数:
0
h-index:
0
SANTRY, DP
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1968,
90
(13)
: 3309
-
&
←
1
2
→