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INTERPRETATION OF ELECTRON-SPECTRA .1. SPECTRA OF FURAN, PYRROLE AND CYCLOPENTADIENE, STUDIED WITH HAM-3
被引:50
作者
:
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
机构:
Physics Department, The Royal Institute of Technology
ASBRINK, L
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
机构:
Physics Department, The Royal Institute of Technology
FRIDH, C
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
机构:
Physics Department, The Royal Institute of Technology
LINDHOLM, E
机构
:
[1]
Physics Department, The Royal Institute of Technology
来源
:
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
|
1979年
/ 16卷
/ 1-2期
关键词
:
D O I
:
10.1016/0368-2048(79)85005-7
中图分类号
:
O433 [光谱学];
学科分类号
:
0703 ;
070302 ;
摘要
:
The interpretation of spectra of molecules by use of semi-empirical methods, of which SPINDO is an example, is usually possible for only one property of the molecule. If several properties of the molecules are used in the parametrization process the resulting method will have a more general applicability. This possibility is illustrated by the use of HAM/3 to interpret ionization energies, excitation energies and electron affinities of furan, pyrrole and cyclopentadiene. © 1979.
引用
收藏
页码:65 / 76
页数:12
相关论文
共 65 条
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INTERPRETATION OF PHOTOELECTRON SPECTRA OF HYDROCARBONS BY USE OF A SEMIEMPIRICAL CALCULATION
ASBRINK, L
论文数:
0
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0
h-index:
0
ASBRINK, L
FRIDH, C
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0
引用数:
0
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FRIDH, C
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
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LINDHOLM, E
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(15)
: 5501
-
&
[2]
ELECTRONIC-STRUCTURE OF TCNQ, STUDIED WITH HAM-3
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
ASBRINK, L
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
FRIDH, C
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
LINDHOLM, E
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1978,
13
(03)
: 331
-
347
[3]
ASBRINK L, 1977, TETRAHEDRON LETT, P4627
[4]
HAM-3, A SEMIEMPIRICAL MO THEORY .I. SCF METHOD
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ASBRINK, L
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
FRIDH, C
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
LINDHOLM, E
[J].
CHEMICAL PHYSICS LETTERS,
1977,
52
(01)
: 63
-
68
[5]
ELECTRONIC-STRUCTURE OF TOLUENE FROM PHOTOELECTRON SPECTROSCOPY AND A SPINDO CALCULATION
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
ASBRINK, L
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
LINDHOLM, E
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
FRIDH, C
[J].
CHEMICAL PHYSICS LETTERS,
1972,
15
(04)
: 567
-
&
[6]
HAM-3, A SEMIEMPIRICAL MO THEORY .2. PHOTOELECTRON-SPECTRA
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL, DEPT PHYS, S-10044 STOCKHOLM 70, SWEDEN
ROYAL INST TECHNOL, DEPT PHYS, S-10044 STOCKHOLM 70, SWEDEN
ASBRINK, L
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL, DEPT PHYS, S-10044 STOCKHOLM 70, SWEDEN
ROYAL INST TECHNOL, DEPT PHYS, S-10044 STOCKHOLM 70, SWEDEN
FRIDH, C
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL, DEPT PHYS, S-10044 STOCKHOLM 70, SWEDEN
ROYAL INST TECHNOL, DEPT PHYS, S-10044 STOCKHOLM 70, SWEDEN
LINDHOLM, E
[J].
CHEMICAL PHYSICS LETTERS,
1977,
52
(01)
: 69
-
71
[7]
VALENCE EXCITATION OF LINEAR-MOLECULES .1. EXCITATION AND UV SPECTRA OF N2, CO, ACETYLENE AND HCN
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
ASBRINK, L
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
FRIDH, C
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
LINDHOLM, E
[J].
CHEMICAL PHYSICS,
1978,
27
(02)
: 159
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168
[8]
ASBRINK L, 1978, Z NATURFORSCH A, V33, P172
[9]
HAM-3, A SEMIEMPIRICAL MO THEORY .3. UNOCCUPIED ORBITALS
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ASBRINK, L
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
FRIDH, C
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
LINDHOLM, E
[J].
CHEMICAL PHYSICS LETTERS,
1977,
52
(01)
: 72
-
75
[10]
DISSOCIATION OF CYCLOBUTANE, STUDIED WITH HAM-3
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ASBRINK, L
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
FRIDH, C
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
LINDHOLM, E
AHLGREN, G
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
AHLGREN, G
[J].
CHEMICAL PHYSICS,
1978,
33
(02)
: 195
-
204
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共 65 条
[1]
INTERPRETATION OF PHOTOELECTRON SPECTRA OF HYDROCARBONS BY USE OF A SEMIEMPIRICAL CALCULATION
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
ASBRINK, L
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
FRIDH, C
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
LINDHOLM, E
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(15)
: 5501
-
&
[2]
ELECTRONIC-STRUCTURE OF TCNQ, STUDIED WITH HAM-3
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
ASBRINK, L
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
FRIDH, C
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
LINDHOLM, E
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1978,
13
(03)
: 331
-
347
[3]
ASBRINK L, 1977, TETRAHEDRON LETT, P4627
[4]
HAM-3, A SEMIEMPIRICAL MO THEORY .I. SCF METHOD
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ASBRINK, L
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
FRIDH, C
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
LINDHOLM, E
[J].
CHEMICAL PHYSICS LETTERS,
1977,
52
(01)
: 63
-
68
[5]
ELECTRONIC-STRUCTURE OF TOLUENE FROM PHOTOELECTRON SPECTROSCOPY AND A SPINDO CALCULATION
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
ASBRINK, L
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
LINDHOLM, E
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
FRIDH, C
[J].
CHEMICAL PHYSICS LETTERS,
1972,
15
(04)
: 567
-
&
[6]
HAM-3, A SEMIEMPIRICAL MO THEORY .2. PHOTOELECTRON-SPECTRA
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL, DEPT PHYS, S-10044 STOCKHOLM 70, SWEDEN
ROYAL INST TECHNOL, DEPT PHYS, S-10044 STOCKHOLM 70, SWEDEN
ASBRINK, L
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL, DEPT PHYS, S-10044 STOCKHOLM 70, SWEDEN
ROYAL INST TECHNOL, DEPT PHYS, S-10044 STOCKHOLM 70, SWEDEN
FRIDH, C
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL, DEPT PHYS, S-10044 STOCKHOLM 70, SWEDEN
ROYAL INST TECHNOL, DEPT PHYS, S-10044 STOCKHOLM 70, SWEDEN
LINDHOLM, E
[J].
CHEMICAL PHYSICS LETTERS,
1977,
52
(01)
: 69
-
71
[7]
VALENCE EXCITATION OF LINEAR-MOLECULES .1. EXCITATION AND UV SPECTRA OF N2, CO, ACETYLENE AND HCN
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
ASBRINK, L
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
FRIDH, C
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
LINDHOLM, E
[J].
CHEMICAL PHYSICS,
1978,
27
(02)
: 159
-
168
[8]
ASBRINK L, 1978, Z NATURFORSCH A, V33, P172
[9]
HAM-3, A SEMIEMPIRICAL MO THEORY .3. UNOCCUPIED ORBITALS
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ASBRINK, L
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
FRIDH, C
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN
LINDHOLM, E
[J].
CHEMICAL PHYSICS LETTERS,
1977,
52
(01)
: 72
-
75
[10]
DISSOCIATION OF CYCLOBUTANE, STUDIED WITH HAM-3
ASBRINK, L
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ASBRINK, L
FRIDH, C
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
FRIDH, C
LINDHOLM, E
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
LINDHOLM, E
AHLGREN, G
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
AHLGREN, G
[J].
CHEMICAL PHYSICS,
1978,
33
(02)
: 195
-
204
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5
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