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Self-consistent field wave function and localized orbitals for 2,4-dicarbaheptoborane(7). Fractional three-center bond
Journal of the American Chemical Society
◽
10.1021/ja00780a009
◽
1972
◽
Vol 94
(25)
◽
pp. 8692-8699
◽
Cited By ~ 24
Author(s):
Dennis S. Marynick
◽
William N. Lipscomb
Keyword(s):
Wave Function
◽
Localized Orbitals
◽
Consistent Field
◽
Self Consistent
◽
Self Consistent Field
◽
Field Wave
Download Full-text
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Cited By
References
Hexaborane(10). Self-consistent field wave function, localized orbitals, and relations to chemical properties
Inorganic Chemistry
◽
10.1021/ic50095a032
◽
1971
◽
Vol 10
(1)
◽
pp. 171-181
◽
Cited By ~ 21
Author(s):
William N. Lipscomb
◽
Irving R. Epstein
◽
John A. Tossell
◽
Eugene Switkes
◽
Richard Morton Stevens
Keyword(s):
Wave Function
◽
Chemical Properties
◽
Localized Orbitals
◽
Consistent Field
◽
Self Consistent
◽
Self Consistent Field
◽
Field Wave
Download Full-text
Ab initio calculation of the barrier to internal rotation in propylene using a Guassian basis self-consistent field wave function
Journal of the American Chemical Society
◽
10.1021/ja01033a001
◽
1969
◽
Vol 91
(5)
◽
pp. 1045-1052
◽
Cited By ~ 26
Author(s):
Mark L. Unland
◽
John R. Van Wazer
◽
John H. Letcher
Keyword(s):
Wave Function
◽
Ab Initio
◽
Internal Rotation
◽
Ab Initio Calculation
◽
Consistent Field
◽
Self Consistent
◽
Self Consistent Field
◽
Field Wave
Download Full-text
Quadratic response functions for a multiconfigurational self‐consistent field wave function
The Journal of Chemical Physics
◽
10.1063/1.463245
◽
1992
◽
Vol 97
(2)
◽
pp. 1174-1190
◽
Cited By ~ 177
Author(s):
Hinne Hettema
◽
Hans Jo/rgen Aa. Jensen
◽
Poul Jo/rgensen
◽
Jeppe Olsen
Keyword(s):
Wave Function
◽
Response Functions
◽
Consistent Field
◽
Self Consistent
◽
Self Consistent Field
◽
Quadratic Response
◽
Field Wave
Download Full-text
Multiconfiguration self-consistent field, theory of localized orbitals: Choice of localization potential
Chemical Physics Letters
◽
10.1016/0009-2614(73)89025-6
◽
1973
◽
Vol 23
(4)
◽
pp. 545-548
◽
Cited By ~ 8
Author(s):
H. Schlosser
Keyword(s):
Field Theory
◽
Localized Orbitals
◽
Consistent Field
◽
Self Consistent
◽
Self Consistent Field
◽
Self Consistent Field Theory
Download Full-text
Application of the saddle-point variational method to self-consistent-field wave functions
International Journal of Quantum Chemistry
◽
10.1002/qua.560240844
◽
2009
◽
Vol 24
(S17)
◽
pp. 401-405
Author(s):
William L. Luken
◽
Joseph M. Leonard
◽
John C. Culberson
Keyword(s):
Variational Method
◽
Saddle Point
◽
Wave Functions
◽
Consistent Field
◽
Self Consistent
◽
Self Consistent Field
◽
Field Wave
Download Full-text
Localised molecular orbitals in self-consistent field wave functions. Part X. The nature of electronegativity
Journal of the Chemical Society A Inorganic Physical Theoretical
◽
10.1039/j19660000656
◽
1966
◽
pp. 656
◽
Cited By ~ 7
Author(s):
David Peters
Keyword(s):
Molecular Orbitals
◽
Wave Functions
◽
Consistent Field
◽
Self Consistent
◽
Self Consistent Field
◽
Field Wave
Download Full-text
373. Localised molecular orbitals in the self-consistent field wave functions of linear molecules. Part II. Atomic charges and dipole moments
Journal of the Chemical Society (Resumed)
◽
10.1039/jr9630002015
◽
1963
◽
pp. 2015
◽
Cited By ~ 15
Author(s):
David Peters
Keyword(s):
Dipole Moments
◽
Molecular Orbitals
◽
Wave Functions
◽
The Self
◽
Atomic Charges
◽
Consistent Field
◽
Self Consistent
◽
Self Consistent Field
◽
Linear Molecules
◽
Field Wave
Download Full-text
Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions
Journal of Chemical Theory and Computation
◽
10.1021/acs.jctc.6b00382
◽
2016
◽
Vol 12
(7)
◽
pp. 3208-3213
◽
Cited By ~ 30
Author(s):
Dongxia Ma
◽
Giovanni Li Manni
◽
Jeppe Olsen
◽
Laura Gagliardi
Keyword(s):
Perturbation Theory
◽
Wave Functions
◽
Order Perturbation
◽
Order Perturbation Theory
◽
Active Space
◽
Consistent Field
◽
Self Consistent
◽
Self Consistent Field
◽
Field Wave
◽
Second Order Perturbation Theory
Download Full-text
ChemInform Abstract: SELF-CONSISTENT FIELD WAVE FUNCTIONS OF BORON HYDRIDES AND IONS, B8H12, B9H15, B6H6(2-), B10H10(2-), AND B10H14(2-)
Chemischer Informationsdienst
◽
10.1002/chin.197415004
◽
1974
◽
Vol 5
(15)
◽
pp. no-no
Author(s):
JOHN H. JUN. HALL
◽
DENNIS S. MARYNICK
◽
WILLIAM N. LIPSCOMB
Keyword(s):
Wave Functions
◽
Boron Hydrides
◽
Consistent Field
◽
Self Consistent
◽
Self Consistent Field
◽
Field Wave
Download Full-text
A priori complete active space self consistent field localized orbitals: an application on linear polyenes
Molecular Physics
◽
10.1080/00268970500417903
◽
2006
◽
Vol 104
(5-7)
◽
pp. 691-700
◽
Cited By ~ 2
Author(s):
Celestino Angeli
◽
Manuel Sparta†
◽
Renzo Cimiraglia
Keyword(s):
A Priori
◽
Localized Orbitals
◽
Complete Active Space
◽
Active Space
◽
Consistent Field
◽
Self Consistent
◽
Self Consistent Field
◽
Linear Polyenes
Download Full-text
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