学术探索
学术期刊
新闻热点
数据分析
智能评审
立即登录
MRD-CI STUDY ON THE ISOMERS SIOH AND HSIO .1. RELATIVE STABILITY AND ELECTRONIC-SPECTRA
被引:18
作者
:
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
BRUNA, PJ
[
1
]
GREIN, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
GREIN, F
[
1
]
机构
:
[1]
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
来源
:
MOLECULAR PHYSICS
|
1988年
/ 63卷
/ 02期
关键词
:
D O I
:
10.1080/00268978800100241
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:329 / 349
页数:21
相关论文
共 71 条
[1]
BERTHIER G, 1984, J MOLEC STRUCT THEOC, V107, P39
[2]
AN ABINITIO CALCULATION OF SPECTROSCOPIC PROPERTIES OF SIO AND HOSI+
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FRANKFURT,FACHBEREICH CHEM,D-6000 FRANKFURT,FED REP GER
UNIV FRANKFURT,FACHBEREICH CHEM,D-6000 FRANKFURT,FED REP GER
BOTSCHWINA, P
ROSMUS, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FRANKFURT,FACHBEREICH CHEM,D-6000 FRANKFURT,FED REP GER
UNIV FRANKFURT,FACHBEREICH CHEM,D-6000 FRANKFURT,FED REP GER
ROSMUS, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(03)
: 1420
-
1426
[3]
ABINITIO CALCULATIONS OF ELECTRONIC AND VIBRATIONAL ENERGIES OF HCO AND HOC
BOWMAN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
BOWMAN, JM
BITTMAN, JS
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
BITTMAN, JS
HARDING, LB
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
HARDING, LB
[J].
JOURNAL OF CHEMICAL PHYSICS,
1986,
85
(02)
: 911
-
921
[4]
NON-EMPIRICAL SCF AND CI STUDY OF GROUND AND EXCITED-STATES OF THIOFORMALDEHYDE
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, 5300 BONN, GERMANY
BRUNA, PJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, 5300 BONN, GERMANY
PEYERIMHOFF, SD
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, 5300 BONN, GERMANY
BUENKER, RJ
[J].
CHEMICAL PHYSICS,
1974,
3
(01)
: 35
-
53
[5]
THEORETICAL PREDICTION OF ELECTRONIC-SPECTRUM OF THIOACETONE AND COMPARISON WITH RELATED SYSTEMS
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, GERMANY
BRUNA, PJ
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, GERMANY
BUENKER, RJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, GERMANY
PEYERIMHOFF, SD
[J].
CHEMICAL PHYSICS,
1977,
22
(03)
: 375
-
382
[6]
ABINITIO STUDY ON THE ISOMERS HNO+ AND NOH+ - VERTICAL SPECTRA AND HEAT OF FORMATION
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
BRUNA, PJ
MARIAN, CM
论文数:
0
引用数:
0
h-index:
0
MARIAN, CM
[J].
CHEMICAL PHYSICS,
1979,
37
(03)
: 425
-
444
[7]
ELECTRONIC-STRUCTURE OF NOH (HYPONITROUS ACID MONOMER) IN THE GROUND-STATE
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
Lehrsthul für Theoretische Chemie, Universität Bonn
BRUNA, PJ
MARIAN, CM
论文数:
0
引用数:
0
h-index:
0
机构:
Lehrsthul für Theoretische Chemie, Universität Bonn
MARIAN, CM
[J].
CHEMICAL PHYSICS LETTERS,
1979,
67
(01)
: 109
-
114
[8]
ABINITIO STUDY OF STRUCTURE, ISOMERS AND VERTICAL ELECTRONIC-SPECTRUM OF FORMYL RADICAL HCO
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
BRUNA, PJ
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
BUENKER, RJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
PEYERIMHOFF, SD
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1976,
32
(02)
: 217
-
233
[9]
MULTIREFERENCE (SINGLE) AND DOUBLE-EXCITATION - CONFIGURATION-INTERACTION (MRD-CI) STUDY OF THE RADICALS CN, SIN, AND SIP, AND THE LINEAR STRUCTURES OF HSIP AND SIPH IN THEIR ELECTRONIC GROUND AND VARIOUS EXCITED-STATES
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
BRUNA, PJ
DOHMANN, H
论文数:
0
引用数:
0
h-index:
0
DOHMANN, H
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
PEYERIMHOFF, SD
[J].
CANADIAN JOURNAL OF PHYSICS,
1984,
62
(12)
: 1508
-
1523
[10]
ABINITIO SCF AND CI STUDY OF HCS+-CSH+ SYSTEM - POTENTIAL SURFACES FOR HYDROGEN ABSTRACTION AND INTER-NUCLEAR BENDING FOR GROUND AND EXCITED-STATES AND VERTICAL SPECTRUM FOR HCS+
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, D-5300 BONN 1, FED REP GER
BRUNA, PJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, D-5300 BONN 1, FED REP GER
PEYERIMHOFF, SD
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, D-5300 BONN 1, FED REP GER
BUENKER, RJ
[J].
CHEMICAL PHYSICS,
1978,
27
(01)
: 33
-
43
←
1
2
3
4
5
6
7
8
→
共 71 条
[1]
BERTHIER G, 1984, J MOLEC STRUCT THEOC, V107, P39
[2]
AN ABINITIO CALCULATION OF SPECTROSCOPIC PROPERTIES OF SIO AND HOSI+
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FRANKFURT,FACHBEREICH CHEM,D-6000 FRANKFURT,FED REP GER
UNIV FRANKFURT,FACHBEREICH CHEM,D-6000 FRANKFURT,FED REP GER
BOTSCHWINA, P
ROSMUS, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FRANKFURT,FACHBEREICH CHEM,D-6000 FRANKFURT,FED REP GER
UNIV FRANKFURT,FACHBEREICH CHEM,D-6000 FRANKFURT,FED REP GER
ROSMUS, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(03)
: 1420
-
1426
[3]
ABINITIO CALCULATIONS OF ELECTRONIC AND VIBRATIONAL ENERGIES OF HCO AND HOC
BOWMAN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
BOWMAN, JM
BITTMAN, JS
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
BITTMAN, JS
HARDING, LB
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
HARDING, LB
[J].
JOURNAL OF CHEMICAL PHYSICS,
1986,
85
(02)
: 911
-
921
[4]
NON-EMPIRICAL SCF AND CI STUDY OF GROUND AND EXCITED-STATES OF THIOFORMALDEHYDE
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, 5300 BONN, GERMANY
BRUNA, PJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, 5300 BONN, GERMANY
PEYERIMHOFF, SD
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, 5300 BONN, GERMANY
BUENKER, RJ
[J].
CHEMICAL PHYSICS,
1974,
3
(01)
: 35
-
53
[5]
THEORETICAL PREDICTION OF ELECTRONIC-SPECTRUM OF THIOACETONE AND COMPARISON WITH RELATED SYSTEMS
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, GERMANY
BRUNA, PJ
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, GERMANY
BUENKER, RJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, GERMANY
PEYERIMHOFF, SD
[J].
CHEMICAL PHYSICS,
1977,
22
(03)
: 375
-
382
[6]
ABINITIO STUDY ON THE ISOMERS HNO+ AND NOH+ - VERTICAL SPECTRA AND HEAT OF FORMATION
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
BRUNA, PJ
MARIAN, CM
论文数:
0
引用数:
0
h-index:
0
MARIAN, CM
[J].
CHEMICAL PHYSICS,
1979,
37
(03)
: 425
-
444
[7]
ELECTRONIC-STRUCTURE OF NOH (HYPONITROUS ACID MONOMER) IN THE GROUND-STATE
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
Lehrsthul für Theoretische Chemie, Universität Bonn
BRUNA, PJ
MARIAN, CM
论文数:
0
引用数:
0
h-index:
0
机构:
Lehrsthul für Theoretische Chemie, Universität Bonn
MARIAN, CM
[J].
CHEMICAL PHYSICS LETTERS,
1979,
67
(01)
: 109
-
114
[8]
ABINITIO STUDY OF STRUCTURE, ISOMERS AND VERTICAL ELECTRONIC-SPECTRUM OF FORMYL RADICAL HCO
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
BRUNA, PJ
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
BUENKER, RJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
PEYERIMHOFF, SD
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1976,
32
(02)
: 217
-
233
[9]
MULTIREFERENCE (SINGLE) AND DOUBLE-EXCITATION - CONFIGURATION-INTERACTION (MRD-CI) STUDY OF THE RADICALS CN, SIN, AND SIP, AND THE LINEAR STRUCTURES OF HSIP AND SIPH IN THEIR ELECTRONIC GROUND AND VARIOUS EXCITED-STATES
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
BRUNA, PJ
DOHMANN, H
论文数:
0
引用数:
0
h-index:
0
DOHMANN, H
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
PEYERIMHOFF, SD
[J].
CANADIAN JOURNAL OF PHYSICS,
1984,
62
(12)
: 1508
-
1523
[10]
ABINITIO SCF AND CI STUDY OF HCS+-CSH+ SYSTEM - POTENTIAL SURFACES FOR HYDROGEN ABSTRACTION AND INTER-NUCLEAR BENDING FOR GROUND AND EXCITED-STATES AND VERTICAL SPECTRUM FOR HCS+
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, D-5300 BONN 1, FED REP GER
BRUNA, PJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, D-5300 BONN 1, FED REP GER
PEYERIMHOFF, SD
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, D-5300 BONN 1, FED REP GER
BUENKER, RJ
[J].
CHEMICAL PHYSICS,
1978,
27
(01)
: 33
-
43
←
1
2
3
4
5
6
7
8
→