学术探索
学术期刊
新闻热点
数据分析
智能评审
立即登录
THEORETICAL SOLVENT EFFECTS ON MOLECULAR-STRUCTURE AND SPECTROSCOPIC PROPERTIES THROUGH THE VIRTUAL-CHARGE MODEL - APPLICATION TO THE INVERTED SOLVATOCHROMY OF BENZOPHENONE N-]PI-STAR AND PI-]PI-STAR ABSORPTION-BANDS
被引:25
作者
:
BOTREL, A
论文数:
0
引用数:
0
h-index:
0
BOTREL, A
CORRE, F
论文数:
0
引用数:
0
h-index:
0
CORRE, F
LEBEUZE, A
论文数:
0
引用数:
0
h-index:
0
LEBEUZE, A
机构
:
来源
:
CHEMICAL PHYSICS
|
1983年
/ 74卷
/ 03期
关键词
:
D O I
:
10.1016/0301-0104(83)85188-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:383 / 394
页数:12
相关论文
共 48 条
[21]
Solvations: A semi-empirical procedure for including solvation in quantum mechanical calculations of large molecules
Klopman, G.
论文数:
0
引用数:
0
h-index:
0
机构:
Cyanamid European Res Inst, CH-1223 Geneva, Switzerland
Cyanamid European Res Inst, CH-1223 Geneva, Switzerland
Klopman, G.
[J].
CHEMICAL PHYSICS LETTERS,
1967,
1
(05)
: 200
-
202
[22]
THE EFFECT OF SOLVENT ON SPECTRA .1. A NEW EMPIRICAL MEASURE OF SOLVENT POLARITY - Z-VALUES
KOSOWER, EM
论文数:
0
引用数:
0
h-index:
0
KOSOWER, EM
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1958,
80
(13)
: 3253
-
3260
[23]
McClellan A. L., 1963, TABLES EXPT DIPOLE M
[24]
THEORY OF SOLVENT EFFECTS ON MOLECULAR ELECTRONIC SPECTRA - FREQUENCY SHIFTS
MCRAE, EG
论文数:
0
引用数:
0
h-index:
0
MCRAE, EG
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1957,
61
(05)
: 562
-
572
[25]
QUANTUM-CHEMICAL STUDY OF RADICAL IONS AND MOLECULES INCORPORATING SOLVENT EFFECT .2. CALCULATION OF ELECTRONIC-TRANSITIONS AND SPIN-DENSITIES OF VARIOUS CONJUGATED RADICAL-ANIONS IN PI-APPROXIMATION
MIERTUS, S
论文数:
0
引用数:
0
h-index:
0
机构:
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
MIERTUS, S
KYSEL, O
论文数:
0
引用数:
0
h-index:
0
机构:
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
KYSEL, O
[J].
CHEMICAL PHYSICS,
1977,
21
(01)
: 33
-
45
[26]
ELECTROSTATIC INTERACTION OF A SOLUTE WITH A CONTINUUM - A DIRECT UTILIZATION OF ABINITIO MOLECULAR POTENTIALS FOR THE PREVISION OF SOLVENT EFFECTS
MIERTUS, S
论文数:
0
引用数:
0
h-index:
0
机构:
CNR, IST CHIM QUANTIST & ENERGET MOLEC, I-56100 PISA, ITALY
MIERTUS, S
SCROCCO, E
论文数:
0
引用数:
0
h-index:
0
机构:
CNR, IST CHIM QUANTIST & ENERGET MOLEC, I-56100 PISA, ITALY
SCROCCO, E
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
机构:
CNR, IST CHIM QUANTIST & ENERGET MOLEC, I-56100 PISA, ITALY
TOMASI, J
[J].
CHEMICAL PHYSICS,
1981,
55
(01)
: 117
-
129
[27]
QUANTUM-CHEMICAL STUDY OF RADICAL IONS AND MOLECULES INCORPORATING THE SOLVENT EFFECT - COMMENT ON THE METHOD OF INCORPORATION OF THE SOLVENT EFFECT
MIERTUS, S
论文数:
0
引用数:
0
h-index:
0
机构:
Polymer Institute of the Slovak Academy of Sciences
MIERTUS, S
KYSEL, O
论文数:
0
引用数:
0
h-index:
0
机构:
Polymer Institute of the Slovak Academy of Sciences
KYSEL, O
[J].
CHEMICAL PHYSICS LETTERS,
1979,
65
(02)
: 395
-
398
[28]
QUANTUM-CHEMICAL STUDY OF RADICAL IONS AND MOLECULES INCORPORATING SOLVENT EFFECT .1. SOLVENT EFFECT WITHIN PI(PPP-LIKE) AND CNDO METHODS
MIERTUS, S
论文数:
0
引用数:
0
h-index:
0
机构:
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
MIERTUS, S
KYSEL, O
论文数:
0
引用数:
0
h-index:
0
机构:
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
KYSEL, O
[J].
CHEMICAL PHYSICS,
1977,
21
(01)
: 27
-
32
[29]
QUANTUM-CHEMICAL STUDY OF RADICAL IONS AND MOLECULES INCORPORATING SOLVENT EFFECT .3. CALCULATION OF ELECTRONIC-SPECTRA OF CONJUGATED RADICAL-ANIONS IN CNDO AND INDO APPROXIMATIONS BY LONGUET-HIGGINS-POPLE AND ROOTHAAN RESTRICTED METHODS
MIERTUS, S
论文数:
0
引用数:
0
h-index:
0
机构:
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
MIERTUS, S
KYSEL, O
论文数:
0
引用数:
0
h-index:
0
机构:
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
KYSEL, O
[J].
CHEMICAL PHYSICS,
1977,
21
(01)
: 47
-
52
[30]
THE RELATION BETWEEN ENERGY LEVELS OF SUBSTITUENT GROUPS AND ELECTRON MIGRATION EFFECTS IN SOME MONOSUBSTITUTED BENZENES
NAGAKURA, S
论文数:
0
引用数:
0
h-index:
0
NAGAKURA, S
TANAKA, J
论文数:
0
引用数:
0
h-index:
0
TANAKA, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1954,
22
(02)
: 236
-
240
←
1
2
3
4
5
→
共 48 条
[21]
Solvations: A semi-empirical procedure for including solvation in quantum mechanical calculations of large molecules
Klopman, G.
论文数:
0
引用数:
0
h-index:
0
机构:
Cyanamid European Res Inst, CH-1223 Geneva, Switzerland
Cyanamid European Res Inst, CH-1223 Geneva, Switzerland
Klopman, G.
[J].
CHEMICAL PHYSICS LETTERS,
1967,
1
(05)
: 200
-
202
[22]
THE EFFECT OF SOLVENT ON SPECTRA .1. A NEW EMPIRICAL MEASURE OF SOLVENT POLARITY - Z-VALUES
KOSOWER, EM
论文数:
0
引用数:
0
h-index:
0
KOSOWER, EM
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1958,
80
(13)
: 3253
-
3260
[23]
McClellan A. L., 1963, TABLES EXPT DIPOLE M
[24]
THEORY OF SOLVENT EFFECTS ON MOLECULAR ELECTRONIC SPECTRA - FREQUENCY SHIFTS
MCRAE, EG
论文数:
0
引用数:
0
h-index:
0
MCRAE, EG
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1957,
61
(05)
: 562
-
572
[25]
QUANTUM-CHEMICAL STUDY OF RADICAL IONS AND MOLECULES INCORPORATING SOLVENT EFFECT .2. CALCULATION OF ELECTRONIC-TRANSITIONS AND SPIN-DENSITIES OF VARIOUS CONJUGATED RADICAL-ANIONS IN PI-APPROXIMATION
MIERTUS, S
论文数:
0
引用数:
0
h-index:
0
机构:
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
MIERTUS, S
KYSEL, O
论文数:
0
引用数:
0
h-index:
0
机构:
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
KYSEL, O
[J].
CHEMICAL PHYSICS,
1977,
21
(01)
: 33
-
45
[26]
ELECTROSTATIC INTERACTION OF A SOLUTE WITH A CONTINUUM - A DIRECT UTILIZATION OF ABINITIO MOLECULAR POTENTIALS FOR THE PREVISION OF SOLVENT EFFECTS
MIERTUS, S
论文数:
0
引用数:
0
h-index:
0
机构:
CNR, IST CHIM QUANTIST & ENERGET MOLEC, I-56100 PISA, ITALY
MIERTUS, S
SCROCCO, E
论文数:
0
引用数:
0
h-index:
0
机构:
CNR, IST CHIM QUANTIST & ENERGET MOLEC, I-56100 PISA, ITALY
SCROCCO, E
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
机构:
CNR, IST CHIM QUANTIST & ENERGET MOLEC, I-56100 PISA, ITALY
TOMASI, J
[J].
CHEMICAL PHYSICS,
1981,
55
(01)
: 117
-
129
[27]
QUANTUM-CHEMICAL STUDY OF RADICAL IONS AND MOLECULES INCORPORATING THE SOLVENT EFFECT - COMMENT ON THE METHOD OF INCORPORATION OF THE SOLVENT EFFECT
MIERTUS, S
论文数:
0
引用数:
0
h-index:
0
机构:
Polymer Institute of the Slovak Academy of Sciences
MIERTUS, S
KYSEL, O
论文数:
0
引用数:
0
h-index:
0
机构:
Polymer Institute of the Slovak Academy of Sciences
KYSEL, O
[J].
CHEMICAL PHYSICS LETTERS,
1979,
65
(02)
: 395
-
398
[28]
QUANTUM-CHEMICAL STUDY OF RADICAL IONS AND MOLECULES INCORPORATING SOLVENT EFFECT .1. SOLVENT EFFECT WITHIN PI(PPP-LIKE) AND CNDO METHODS
MIERTUS, S
论文数:
0
引用数:
0
h-index:
0
机构:
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
MIERTUS, S
KYSEL, O
论文数:
0
引用数:
0
h-index:
0
机构:
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
KYSEL, O
[J].
CHEMICAL PHYSICS,
1977,
21
(01)
: 27
-
32
[29]
QUANTUM-CHEMICAL STUDY OF RADICAL IONS AND MOLECULES INCORPORATING SOLVENT EFFECT .3. CALCULATION OF ELECTRONIC-SPECTRA OF CONJUGATED RADICAL-ANIONS IN CNDO AND INDO APPROXIMATIONS BY LONGUET-HIGGINS-POPLE AND ROOTHAAN RESTRICTED METHODS
MIERTUS, S
论文数:
0
引用数:
0
h-index:
0
机构:
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
MIERTUS, S
KYSEL, O
论文数:
0
引用数:
0
h-index:
0
机构:
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA
KYSEL, O
[J].
CHEMICAL PHYSICS,
1977,
21
(01)
: 47
-
52
[30]
THE RELATION BETWEEN ENERGY LEVELS OF SUBSTITUENT GROUPS AND ELECTRON MIGRATION EFFECTS IN SOME MONOSUBSTITUTED BENZENES
NAGAKURA, S
论文数:
0
引用数:
0
h-index:
0
NAGAKURA, S
TANAKA, J
论文数:
0
引用数:
0
h-index:
0
TANAKA, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1954,
22
(02)
: 236
-
240
←
1
2
3
4
5
→