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PNO-CL AND CEPA INVESTIGATION OF UNSTABLE BORON-NITROGEN AND BORON-OXYGEN COMPOUNDS
被引:45
作者
:
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
BOTSCHWINA, P
机构
:
来源
:
CHEMICAL PHYSICS
|
1978年
/ 28卷
/ 1-2期
关键词
:
D O I
:
10.1016/0301-0104(78)85054-X
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:231 / 241
页数:11
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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
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: 98
-
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←
1
2
3
4
5
→
共 50 条
[1]
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:
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h-index:
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机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
KUTZELNIGG, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(04)
: 1225
-
1234
[2]
EVALUATING FORCE CONSTANTS FROM LCAO-MO-SCF ELECTRONIC CHARGE DENSITIES FOR DIATOMIC-MOLECULES
ANDERSON, AB
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,CHEM DEPT,BLOOMINGTON,IN 47401
INDIANA UNIV,CHEM DEPT,BLOOMINGTON,IN 47401
ANDERSON, AB
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(01)
: 381
-
383
[3]
ELECTRONIC-STRUCTURES AND ENERGIES OF BORAZINE, BORONIMIDE AND DIMERIC BORONIMIDE
ARMSTRONG, DR
论文数:
0
引用数:
0
h-index:
0
ARMSTRONG, DR
CLARK, DT
论文数:
0
引用数:
0
h-index:
0
CLARK, DT
[J].
THEORETICA CHIMICA ACTA,
1972,
24
(04):
: 307
-
+
[4]
AB-INITIO CALCULATIONS FOR BORON-NITROGEN ANALOG OF CYCLOBUTADIENE
BAIRD, NC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WESTERN ONTARIO,DEPT CHEM,ONTARIO,CANADA
UNIV WESTERN ONTARIO,DEPT CHEM,ONTARIO,CANADA
BAIRD, NC
[J].
INORGANIC CHEMISTRY,
1973,
12
(02)
: 473
-
474
[5]
AB-INITIO MOLECULAR-ORBITAL STUDY OF IMINOBORANE
BAIRD, NC
论文数:
0
引用数:
0
h-index:
0
BAIRD, NC
DATTA, RK
论文数:
0
引用数:
0
h-index:
0
DATTA, RK
[J].
INORGANIC CHEMISTRY,
1972,
11
(01)
: 17
-
&
[6]
QUANTUM CHEMICAL CALCULATIONS OF FORMYL RADICALS .2. GROUND-STATE OF FLUOROFORMYL RADICAL
BLEICHER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST THEORET CHEM,STUTTGART,FED REP GER
BLEICHER, W
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST THEORET CHEM,STUTTGART,FED REP GER
BOTSCHWINA, P
[J].
MOLECULAR PHYSICS,
1975,
30
(04)
: 1029
-
1036
[7]
BOTSCHWINA P, 1975, Z NATURFORSCH A, V30, P1015
[8]
AB-INITIO CALCULATION OF FORCE-FIELD AND VIBRATIONAL FREQUENCIES OF H2CNH
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,LEHRSTUHL PHYS CHEM 3,MAINZ,FED REP GER
UNIV MAINZ,LEHRSTUHL PHYS CHEM 3,MAINZ,FED REP GER
BOTSCHWINA, P
[J].
CHEMICAL PHYSICS LETTERS,
1974,
29
(04)
: 580
-
584
[9]
FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN H2O2 AND OTHER SMALL MOLECULES CONTAINING AN OH GROUP
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
BOTSCHWINA, P
MEYER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
MEYER, W
SEMKOW, AM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
SEMKOW, AM
[J].
CHEMICAL PHYSICS,
1976,
15
(01)
: 25
-
34
[10]
UNRESTRICTED HARTREE-FOCK CALCULATION OF FORCE CONSTANTS AND VIBRATIONAL FREQUENCIES OF HCO RADICAL
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MAINZ, LEHRSTUHL PHYS CHEM, MAINZ, WEST GERMANY
UNIV MAINZ, LEHRSTUHL PHYS CHEM, MAINZ, WEST GERMANY
BOTSCHWINA, P
[J].
CHEMICAL PHYSICS LETTERS,
1974,
29
(01)
: 98
-
101
←
1
2
3
4
5
→