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AB-INITIO CALCULATIONS OF HARMONIC FORCE CONSTANTS .5. APPLICATION TO NATURAL EXPANSIONS
被引:7
作者
:
BISHOP, DM
论文数:
0
引用数:
0
h-index:
0
BISHOP, DM
MACIAS, A
论文数:
0
引用数:
0
h-index:
0
MACIAS, A
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1971年
/ 55卷
/ 02期
关键词
:
D O I
:
10.1063/1.1676132
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:647 / &
相关论文
共 16 条
[1]
BARNETT GP, 1965, J CHEM PHYS, V43, P580
[2]
AB INITIO CALCULATION OF HARMONIC FORCE CONSTANTS
[J].
BISHOP, DM
论文数:
0
引用数:
0
h-index:
0
BISHOP, DM
;
RANDIC, M
论文数:
0
引用数:
0
h-index:
0
RANDIC, M
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(06)
:2480
-+
[3]
AB-INITIO CALCULATION OF HARMONIC FORCE CONSTANTS .2. APPLICATION TO GAUSSIAN WAVEFUNCTIONS FOR H2+
[J].
BISHOP, DM
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Ottawa, Ottawa, Ont.
BISHOP, DM
;
MACIAS, A
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Ottawa, Ottawa, Ont.
MACIAS, A
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(11)
:4997
-&
[4]
AB-INITIO CALCULATIONS OF HARMONIC FORCE CONSTANTS .4. COMPARISON OF DIFFERENT METHODS
[J].
BISHOP, DM
论文数:
0
引用数:
0
h-index:
0
BISHOP, DM
;
MACIAS, A
论文数:
0
引用数:
0
h-index:
0
MACIAS, A
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(09)
:3515
-&
[5]
FORCE CONSTANTS IN HARTREE-FOCK THEORY
[J].
FREED, KF
论文数:
0
引用数:
0
h-index:
0
FREED, KF
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(01)
:253
-&
[6]
FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .I.
[J].
GERRATT, J
论文数:
0
引用数:
0
h-index:
0
GERRATT, J
;
MILLS, IM
论文数:
0
引用数:
0
h-index:
0
MILLS, IM
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(04)
:1719
-&
[7]
ON ERRORS IN HARTREE-FOCK CALCULATIONS
[J].
GOODISMAN, J
论文数:
0
引用数:
0
h-index:
0
GOODISMAN, J
;
KLEMPERER, W
论文数:
0
引用数:
0
h-index:
0
KLEMPERER, W
.
JOURNAL OF CHEMICAL PHYSICS,
1963,
38
(03)
:721
-&
[8]
MANY-CENTER WAVEFUNCTIONS FOR HYDROGEN MOLECULE + HYDROGEN MOLECULAR ION
[J].
HOYLAND, JR
论文数:
0
引用数:
0
h-index:
0
HOYLAND, JR
.
JOURNAL OF CHEMICAL PHYSICS,
1964,
40
(12)
:3540
-&
[9]
A comparative study of ellipsoidal Gaussians: H-2(+)
[J].
Katriel, J.
论文数:
0
引用数:
0
h-index:
0
机构:
Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel
Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel
Katriel, J.
;
Adam, G.
论文数:
0
引用数:
0
h-index:
0
机构:
Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel
Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel
Adam, G.
.
CHEMICAL PHYSICS LETTERS,
1970,
4
(10)
:596
-598
[10]
CALCULATION OF LOWER BOUNDS TO ENERGIES OF MOLECULAR SYSTEMS .I. MATHEMATICAL METHODS AND ENERGY VARIANCES FOR SIMPLE SYSTEMS
[J].
KEAVENY, IT
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Kansas, Lawrence
KEAVENY, IT
;
CHRISTOF.RE
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Kansas, Lawrence
CHRISTOF.RE
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(01)
:80
-&
←
1
2
→
共 16 条
[1]
BARNETT GP, 1965, J CHEM PHYS, V43, P580
[2]
AB INITIO CALCULATION OF HARMONIC FORCE CONSTANTS
[J].
BISHOP, DM
论文数:
0
引用数:
0
h-index:
0
BISHOP, DM
;
RANDIC, M
论文数:
0
引用数:
0
h-index:
0
RANDIC, M
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(06)
:2480
-+
[3]
AB-INITIO CALCULATION OF HARMONIC FORCE CONSTANTS .2. APPLICATION TO GAUSSIAN WAVEFUNCTIONS FOR H2+
[J].
BISHOP, DM
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Ottawa, Ottawa, Ont.
BISHOP, DM
;
MACIAS, A
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Ottawa, Ottawa, Ont.
MACIAS, A
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(11)
:4997
-&
[4]
AB-INITIO CALCULATIONS OF HARMONIC FORCE CONSTANTS .4. COMPARISON OF DIFFERENT METHODS
[J].
BISHOP, DM
论文数:
0
引用数:
0
h-index:
0
BISHOP, DM
;
MACIAS, A
论文数:
0
引用数:
0
h-index:
0
MACIAS, A
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(09)
:3515
-&
[5]
FORCE CONSTANTS IN HARTREE-FOCK THEORY
[J].
FREED, KF
论文数:
0
引用数:
0
h-index:
0
FREED, KF
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(01)
:253
-&
[6]
FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .I.
[J].
GERRATT, J
论文数:
0
引用数:
0
h-index:
0
GERRATT, J
;
MILLS, IM
论文数:
0
引用数:
0
h-index:
0
MILLS, IM
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(04)
:1719
-&
[7]
ON ERRORS IN HARTREE-FOCK CALCULATIONS
[J].
GOODISMAN, J
论文数:
0
引用数:
0
h-index:
0
GOODISMAN, J
;
KLEMPERER, W
论文数:
0
引用数:
0
h-index:
0
KLEMPERER, W
.
JOURNAL OF CHEMICAL PHYSICS,
1963,
38
(03)
:721
-&
[8]
MANY-CENTER WAVEFUNCTIONS FOR HYDROGEN MOLECULE + HYDROGEN MOLECULAR ION
[J].
HOYLAND, JR
论文数:
0
引用数:
0
h-index:
0
HOYLAND, JR
.
JOURNAL OF CHEMICAL PHYSICS,
1964,
40
(12)
:3540
-&
[9]
A comparative study of ellipsoidal Gaussians: H-2(+)
[J].
Katriel, J.
论文数:
0
引用数:
0
h-index:
0
机构:
Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel
Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel
Katriel, J.
;
Adam, G.
论文数:
0
引用数:
0
h-index:
0
机构:
Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel
Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel
Adam, G.
.
CHEMICAL PHYSICS LETTERS,
1970,
4
(10)
:596
-598
[10]
CALCULATION OF LOWER BOUNDS TO ENERGIES OF MOLECULAR SYSTEMS .I. MATHEMATICAL METHODS AND ENERGY VARIANCES FOR SIMPLE SYSTEMS
[J].
KEAVENY, IT
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Kansas, Lawrence
KEAVENY, IT
;
CHRISTOF.RE
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Kansas, Lawrence
CHRISTOF.RE
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(01)
:80
-&
←
1
2
→