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CHEMICAL BOND IN PHOSPHORANES - COMPARATIVE AB-INITIO STUDY OF PH3F2 AND HYPOTHETICAL MOLECULES NH3F2 AND PH5
被引:95
作者
:
KEIL, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE,INST PHYSIKAL CHEM & ELEKTRO CHEM,D-7500 KARLSRUHE,FED REP GER
KEIL, F
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE,INST PHYSIKAL CHEM & ELEKTRO CHEM,D-7500 KARLSRUHE,FED REP GER
KUTZELNIGG, W
机构
:
[1]
UNIV KARLSRUHE,INST PHYSIKAL CHEM & ELEKTRO CHEM,D-7500 KARLSRUHE,FED REP GER
[2]
RUHR UNIV BOCHUM,LEHRSTUHL THEORET CHEM,D-4630 BOCHUM,FED REP GER
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1975年
/ 97卷
/ 13期
关键词
:
D O I
:
10.1021/ja00846a011
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:3623 / 3632
页数:10
相关论文
共 44 条
[1]
AHLRICHS R, 1975, J CHEM PHYS, V62, P1235, DOI 10.1063/1.430638
[2]
PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .1. OUTLINE OF METHOD FOR CLOSED-SHELL STATES
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
AHLRICHS, R
LISCHKA, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
LISCHKA, H
STAEMMLER, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
STAEMMLER, V
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
KUTZELNIGG, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(04)
: 1225
-
1234
[3]
METHODS FOR EFFICIENT EVALUATION OF INTEGRALS FOR GAUSSIAN TYPE BASIS SETS
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, D-7500 KARLSRUHE, GERMANY
UNIV KARLSRUHE, INST PHYS CHEM, D-7500 KARLSRUHE, GERMANY
AHLRICHS, R
[J].
THEORETICA CHIMICA ACTA,
1974,
33
(02):
: 157
-
167
[4]
AHLRICHS R, TO BE PUBLISHED
[5]
CORRELATION OF RATES OF INTRAMOLECULAR TUNNELING PROCESSES, WITH APPLICATION TO SOME GROUP-V COMPOUNDS
BERRY, RS
论文数:
0
引用数:
0
h-index:
0
BERRY, RS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1960,
32
(03)
: 933
-
938
[6]
ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH
CADE, PE
论文数:
0
引用数:
0
h-index:
0
CADE, PE
HUO, WM
论文数:
0
引用数:
0
h-index:
0
HUO, WM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(02)
: 614
-
&
[7]
AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
IBM JOURNAL OF RESEARCH AND DEVELOPMENT,
1965,
9
(01)
: 2
-
&
[8]
D ELECTRONS AND MOLECULAR BONDING
COULSON, CA
论文数:
0
引用数:
0
h-index:
0
COULSON, CA
[J].
NATURE,
1969,
221
(5186)
: 1106
-
&
[9]
COMPARATIVE STUDY OF SOME SN2 REACTIONS THROUGH AB-INITIO CALCULATIONS
DEDIEU, A
论文数:
0
引用数:
0
h-index:
0
DEDIEU, A
VEILLARD, A
论文数:
0
引用数:
0
h-index:
0
VEILLARD, A
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(19)
: 6730
-
&
[10]
SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS - PSEUDOROTATION IN PHOSPHORUS PENTAFLUORIDE
FLOREY, JB
论文数:
0
引用数:
0
h-index:
0
FLOREY, JB
CUSACHS, LC
论文数:
0
引用数:
0
h-index:
0
CUSACHS, LC
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(09)
: 3040
-
&
←
1
2
3
4
5
→
共 44 条
[1]
AHLRICHS R, 1975, J CHEM PHYS, V62, P1235, DOI 10.1063/1.430638
[2]
PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .1. OUTLINE OF METHOD FOR CLOSED-SHELL STATES
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
AHLRICHS, R
LISCHKA, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
LISCHKA, H
STAEMMLER, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
STAEMMLER, V
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
KUTZELNIGG, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(04)
: 1225
-
1234
[3]
METHODS FOR EFFICIENT EVALUATION OF INTEGRALS FOR GAUSSIAN TYPE BASIS SETS
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, D-7500 KARLSRUHE, GERMANY
UNIV KARLSRUHE, INST PHYS CHEM, D-7500 KARLSRUHE, GERMANY
AHLRICHS, R
[J].
THEORETICA CHIMICA ACTA,
1974,
33
(02):
: 157
-
167
[4]
AHLRICHS R, TO BE PUBLISHED
[5]
CORRELATION OF RATES OF INTRAMOLECULAR TUNNELING PROCESSES, WITH APPLICATION TO SOME GROUP-V COMPOUNDS
BERRY, RS
论文数:
0
引用数:
0
h-index:
0
BERRY, RS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1960,
32
(03)
: 933
-
938
[6]
ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH
CADE, PE
论文数:
0
引用数:
0
h-index:
0
CADE, PE
HUO, WM
论文数:
0
引用数:
0
h-index:
0
HUO, WM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(02)
: 614
-
&
[7]
AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
IBM JOURNAL OF RESEARCH AND DEVELOPMENT,
1965,
9
(01)
: 2
-
&
[8]
D ELECTRONS AND MOLECULAR BONDING
COULSON, CA
论文数:
0
引用数:
0
h-index:
0
COULSON, CA
[J].
NATURE,
1969,
221
(5186)
: 1106
-
&
[9]
COMPARATIVE STUDY OF SOME SN2 REACTIONS THROUGH AB-INITIO CALCULATIONS
DEDIEU, A
论文数:
0
引用数:
0
h-index:
0
DEDIEU, A
VEILLARD, A
论文数:
0
引用数:
0
h-index:
0
VEILLARD, A
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(19)
: 6730
-
&
[10]
SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS - PSEUDOROTATION IN PHOSPHORUS PENTAFLUORIDE
FLOREY, JB
论文数:
0
引用数:
0
h-index:
0
FLOREY, JB
CUSACHS, LC
论文数:
0
引用数:
0
h-index:
0
CUSACHS, LC
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(09)
: 3040
-
&
←
1
2
3
4
5
→