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FLOATING SPHERICAL GAUSSIAN ORBITAL (FSGO) STUDIES WITH A MODEL POTENTIAL - APPLICATION TO 2-VALENCE-ELECTRON SYSTEMS
被引:32
作者
:
RAY, NK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV N CAROLINA,DEPT CHEM,CHAPEL HILL,NC 27514
UNIV N CAROLINA,DEPT CHEM,CHAPEL HILL,NC 27514
RAY, NK
[
1
]
SWITALSKI, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV N CAROLINA,DEPT CHEM,CHAPEL HILL,NC 27514
UNIV N CAROLINA,DEPT CHEM,CHAPEL HILL,NC 27514
SWITALSKI, J
[
1
]
机构
:
[1]
UNIV N CAROLINA,DEPT CHEM,CHAPEL HILL,NC 27514
来源
:
THEORETICA CHIMICA ACTA
|
1976年
/ 41卷
/ 04期
关键词
:
D O I
:
10.1007/BF01178001
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 / 333
页数:5
相关论文
共 26 条
[21]
PSEUDOPOTENTIAL STUDIES OF WATER AND HYDROGEN-FLUORIDE MOLECULES
[J].
SIMONS, G
论文数:
0
引用数:
0
h-index:
0
机构:
JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218
JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218
SIMONS, G
.
CHEMICAL PHYSICS LETTERS,
1973,
18
(03)
:315
-318
[22]
VALENCE ELECTRON STUDIES WITH GAUSSIAN-BASED MODEL POTENTIALS AND GAUSSIAN BASIS FUNCTIONS .3. APPLICATIONS TO 2-VALENCE-ELECTRON SYSTEMS COMPOSED OF COMBINATIONS OF LI, NA, H, OR THEIR UNIPOSITIVE IONS
[J].
SWITALSKI, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTRE DAME, DEPT CHEM, NOTRE DAME, IN 46556 USA
SWITALSKI, JD
;
HUANG, JTJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTRE DAME, DEPT CHEM, NOTRE DAME, IN 46556 USA
HUANG, JTJ
;
SCHWARTZ, ME
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTRE DAME, DEPT CHEM, NOTRE DAME, IN 46556 USA
SCHWARTZ, ME
.
JOURNAL OF CHEMICAL PHYSICS,
1974,
60
(06)
:2252
-2254
[23]
VALENCE ELECTRON STUDIES WITH GAUSSIAN-BASED MODEL POTENTIALS AND GAUSSIAN BASIS FUNCTIONS .4. APPLICATION TO MOLECULAR SYSTEMS CONTAINING FIRST ROW ATOMS
[J].
SWITALSKI, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTRE DAME,DEPT CHEM,NOTRE DAME,IN
SWITALSKI, JD
;
SCHWARTZ, ME
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTRE DAME,DEPT CHEM,NOTRE DAME,IN
SCHWARTZ, ME
.
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(04)
:1521
-1525
[24]
VIELLARD A, 1968, THEOR CHIM ACTA, V12, P405
[25]
GAUSSIAN BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING THIRD-ROW ATOMS
[J].
WACHTERS, AJ
论文数:
0
引用数:
0
h-index:
0
WACHTERS, AJ
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(03)
:1033
-&
[26]
REMOVAL OF CORE ORBITALS IN VALENCE ORBITAL ONLY CALCULATIONS
[J].
ZERNER, MC
论文数:
0
引用数:
0
h-index:
0
ZERNER, MC
.
MOLECULAR PHYSICS,
1972,
23
(05)
:963
-+
←
1
2
3
→
共 26 条
[21]
PSEUDOPOTENTIAL STUDIES OF WATER AND HYDROGEN-FLUORIDE MOLECULES
[J].
SIMONS, G
论文数:
0
引用数:
0
h-index:
0
机构:
JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218
JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218
SIMONS, G
.
CHEMICAL PHYSICS LETTERS,
1973,
18
(03)
:315
-318
[22]
VALENCE ELECTRON STUDIES WITH GAUSSIAN-BASED MODEL POTENTIALS AND GAUSSIAN BASIS FUNCTIONS .3. APPLICATIONS TO 2-VALENCE-ELECTRON SYSTEMS COMPOSED OF COMBINATIONS OF LI, NA, H, OR THEIR UNIPOSITIVE IONS
[J].
SWITALSKI, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTRE DAME, DEPT CHEM, NOTRE DAME, IN 46556 USA
SWITALSKI, JD
;
HUANG, JTJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTRE DAME, DEPT CHEM, NOTRE DAME, IN 46556 USA
HUANG, JTJ
;
SCHWARTZ, ME
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTRE DAME, DEPT CHEM, NOTRE DAME, IN 46556 USA
SCHWARTZ, ME
.
JOURNAL OF CHEMICAL PHYSICS,
1974,
60
(06)
:2252
-2254
[23]
VALENCE ELECTRON STUDIES WITH GAUSSIAN-BASED MODEL POTENTIALS AND GAUSSIAN BASIS FUNCTIONS .4. APPLICATION TO MOLECULAR SYSTEMS CONTAINING FIRST ROW ATOMS
[J].
SWITALSKI, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTRE DAME,DEPT CHEM,NOTRE DAME,IN
SWITALSKI, JD
;
SCHWARTZ, ME
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTRE DAME,DEPT CHEM,NOTRE DAME,IN
SCHWARTZ, ME
.
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(04)
:1521
-1525
[24]
VIELLARD A, 1968, THEOR CHIM ACTA, V12, P405
[25]
GAUSSIAN BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING THIRD-ROW ATOMS
[J].
WACHTERS, AJ
论文数:
0
引用数:
0
h-index:
0
WACHTERS, AJ
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(03)
:1033
-&
[26]
REMOVAL OF CORE ORBITALS IN VALENCE ORBITAL ONLY CALCULATIONS
[J].
ZERNER, MC
论文数:
0
引用数:
0
h-index:
0
ZERNER, MC
.
MOLECULAR PHYSICS,
1972,
23
(05)
:963
-+
←
1
2
3
→