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RELATIVISTIC SCATTERED WAVE CALCULATIONS ON UF6
被引:65
作者
:
CASE, DA
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
CASE, DA
YANG, CY
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
YANG, CY
机构
:
[1]
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
[2]
SURFACE ANAL RES INC,LOS ALTOS,CA 94022
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1980年
/ 72卷
/ 06期
关键词
:
D O I
:
10.1063/1.439605
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:3443 / 3448
页数:6
相关论文
共 39 条
[1]
RELATIVISTIC EFFECTS IN ABINITIO EFFECTIVE CORE POTENTIAL STUDIES OF HEAVY-METAL COMPOUNDS - APPLICATION TO HGCL2, AUCL, AND PTH
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Bar Ilan University, Ramat Gan
BASCH, H
;
TOPIOL, S
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Bar Ilan University, Ramat Gan
TOPIOL, S
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(02)
:802
-814
[2]
RELATIVISTIC CALCULATION OF THE ELECTRONIC-STRUCTURE OF UF6
[J].
BORING, M
论文数:
0
引用数:
0
h-index:
0
机构:
Los Alamos Scientific Laboratory, University of California, Los Alamos
BORING, M
;
WOOD, JH
论文数:
0
引用数:
0
h-index:
0
机构:
Los Alamos Scientific Laboratory, University of California, Los Alamos
WOOD, JH
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(01)
:32
-41
[3]
NOTE ON SCF CALCULATIONS OF VALENCE LEVELS IN HEAVY MOLECULES
[J].
BORING, M
论文数:
0
引用数:
0
h-index:
0
机构:
Los Alamos Scientific Laboratory, Los Alamos
BORING, M
;
WOOD, JH
论文数:
0
引用数:
0
h-index:
0
机构:
Los Alamos Scientific Laboratory, Los Alamos
WOOD, JH
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(01)
:392
-399
[4]
BORING M, 1976, CHEM PHYS LETT, V38, P195
[5]
RELATIVISTIC MOLECULAR SPINORS BY GENERALIZED MULTIPLE-SCATTERING THEORY
[J].
CARTLING, BG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT PHYS & ASTRON,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT PHYS & ASTRON,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
CARTLING, BG
;
WHITMORE, DM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT PHYS & ASTRON,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT PHYS & ASTRON,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
WHITMORE, DM
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1976,
10
(03)
:393
-412
[6]
XALPHA MULTIPLE-SCATTERING CALCULATIONS ON COPPER PORPHINE
[J].
CASE, DA
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
CASE, DA
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(19)
:6182
-6194
[7]
BINDING OF OXYGEN AND CARBON-MONOXIDE TO HEMOGLOBIN - ANALYSIS OF THE GROUND AND EXCITED-STATES
[J].
CASE, DA
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
CASE, DA
;
HUYNH, BH
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HUYNH, BH
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(16)
:4433
-4453
[8]
CALCULATION OF ONE-ELECTRON PROPERTIES FROM X-ALPHA MULTIPLE-SCATTERING WAVEFUNCTIONS
[J].
CASE, DA
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
CASE, DA
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
.
CHEMICAL PHYSICS LETTERS,
1976,
39
(01)
:33
-38
[9]
PSEUDOPOTENTIAL STUDY OF SOME PROMINENT BAND SYSTEMS OF SPECTRA OF I-2 MOLECULE
[J].
DAS, G
论文数:
0
引用数:
0
h-index:
0
DAS, G
;
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
WAHL, AC
.
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(01)
:53
-62
[10]
APPLICATION OF EFFECTIVE POTENTIALS TO RELATIVISTIC HARTREE-FOCK CALCULATIONS
[J].
DATTA, SN
论文数:
0
引用数:
0
h-index:
0
DATTA, SN
;
EWIG, CS
论文数:
0
引用数:
0
h-index:
0
EWIG, CS
;
VANWAZER, JR
论文数:
0
引用数:
0
h-index:
0
VANWAZER, JR
.
CHEMICAL PHYSICS LETTERS,
1978,
57
(01)
:83
-89
←
1
2
3
4
→
共 39 条
[1]
RELATIVISTIC EFFECTS IN ABINITIO EFFECTIVE CORE POTENTIAL STUDIES OF HEAVY-METAL COMPOUNDS - APPLICATION TO HGCL2, AUCL, AND PTH
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Bar Ilan University, Ramat Gan
BASCH, H
;
TOPIOL, S
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Bar Ilan University, Ramat Gan
TOPIOL, S
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(02)
:802
-814
[2]
RELATIVISTIC CALCULATION OF THE ELECTRONIC-STRUCTURE OF UF6
[J].
BORING, M
论文数:
0
引用数:
0
h-index:
0
机构:
Los Alamos Scientific Laboratory, University of California, Los Alamos
BORING, M
;
WOOD, JH
论文数:
0
引用数:
0
h-index:
0
机构:
Los Alamos Scientific Laboratory, University of California, Los Alamos
WOOD, JH
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(01)
:32
-41
[3]
NOTE ON SCF CALCULATIONS OF VALENCE LEVELS IN HEAVY MOLECULES
[J].
BORING, M
论文数:
0
引用数:
0
h-index:
0
机构:
Los Alamos Scientific Laboratory, Los Alamos
BORING, M
;
WOOD, JH
论文数:
0
引用数:
0
h-index:
0
机构:
Los Alamos Scientific Laboratory, Los Alamos
WOOD, JH
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(01)
:392
-399
[4]
BORING M, 1976, CHEM PHYS LETT, V38, P195
[5]
RELATIVISTIC MOLECULAR SPINORS BY GENERALIZED MULTIPLE-SCATTERING THEORY
[J].
CARTLING, BG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT PHYS & ASTRON,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT PHYS & ASTRON,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
CARTLING, BG
;
WHITMORE, DM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT PHYS & ASTRON,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT PHYS & ASTRON,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
WHITMORE, DM
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1976,
10
(03)
:393
-412
[6]
XALPHA MULTIPLE-SCATTERING CALCULATIONS ON COPPER PORPHINE
[J].
CASE, DA
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
CASE, DA
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(19)
:6182
-6194
[7]
BINDING OF OXYGEN AND CARBON-MONOXIDE TO HEMOGLOBIN - ANALYSIS OF THE GROUND AND EXCITED-STATES
[J].
CASE, DA
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
CASE, DA
;
HUYNH, BH
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HUYNH, BH
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(16)
:4433
-4453
[8]
CALCULATION OF ONE-ELECTRON PROPERTIES FROM X-ALPHA MULTIPLE-SCATTERING WAVEFUNCTIONS
[J].
CASE, DA
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
CASE, DA
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
.
CHEMICAL PHYSICS LETTERS,
1976,
39
(01)
:33
-38
[9]
PSEUDOPOTENTIAL STUDY OF SOME PROMINENT BAND SYSTEMS OF SPECTRA OF I-2 MOLECULE
[J].
DAS, G
论文数:
0
引用数:
0
h-index:
0
DAS, G
;
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
WAHL, AC
.
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(01)
:53
-62
[10]
APPLICATION OF EFFECTIVE POTENTIALS TO RELATIVISTIC HARTREE-FOCK CALCULATIONS
[J].
DATTA, SN
论文数:
0
引用数:
0
h-index:
0
DATTA, SN
;
EWIG, CS
论文数:
0
引用数:
0
h-index:
0
EWIG, CS
;
VANWAZER, JR
论文数:
0
引用数:
0
h-index:
0
VANWAZER, JR
.
CHEMICAL PHYSICS LETTERS,
1978,
57
(01)
:83
-89
←
1
2
3
4
→