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7 research outputs found

CALCULATION OF ELECTROSTATIC INTERACTIONS IN MOLECULES USING ELECTRIC MOMENTS OF LOCALIZED ORBITALS

Author: KAPUY E.
KOZMUTZA C.
OZORÓCZY Zs.
Publication venue: 'Periodica Polytechnica Budapest University of Technology and Economics'
Publication date: 01/01/1977
Field of study

Periodica Polytechnica (Budapest University of Technology and Economics)

The hartree energy of the valence electron of K

Author: E. Mágori
P. Gombás
Zs. Ozoróczy
Publication venue: 'Springer Science and Business Media LLC'
Publication date
Field of study

A study of convergence in AB initio SCF calculations

Author: A. Veillard
C. Kozmuiza
E. Kapuy
J. H. Wilkinson
V. R. Saunders
Zs. Ozoróczy
Publication venue: 'Springer Science and Business Media LLC'
Publication date
Field of study

Interdependence of proton affinity, geometry and electron density changes

Author: A. C. Hopkinson
A. C. Wahl
C. Kozmutza
C. Kozmutza
E. Kapuy
E. Kapuy
E. Kapuy
E. Kapuy
R. Daudel
Zs. Ozoróczy
Publication venue: 'Springer Science and Business Media LLC'
Publication date
Field of study

Dependence on the geometry and on the basis set of localized orbital energy and moment contributions

Author: C. Edmiston
C. Kozmutza
E. Kapuy
E. Kapuy
E. Kapuy
H. Weinstein
M. E. Stephens
R. Daudel
R. Daudel
S. Bell
S. F. Boys
W. England
W. Niessen Con
Zs. Ozoróczy
Publication venue: 'Springer Science and Business Media LLC'
Publication date
Field of study

Dependence on the geometry and on the basis set of localized orbital energy and moment contributions

Author: A. D. Buckingam
C. Kozmutza
E. Kapuy
E. Kapuy
E. Kapuy
E. Kapuy
E. Kapuy
E. Kapuy
J. O. Hirschfelder
P. C. Hariharan
T. H. Dunning
W. J. Hehre
Zs. Ozoróczy
Publication venue: 'Springer Science and Business Media LLC'
Publication date
Field of study

Dependence on the geometry and on the basis set of localized orbital energy and moment contributions

Author: B. J. Rosenberg
B. J. Rosenberg
C. A. Coulson
C. Edmiston
C. Kozmutza
E. Kapuy
E. Kapuy
E. Kapuy
E. Kapuy
E. Kapuy
E. Kapuy
J. A. Pople
J. M. Foster
J. Pipek
M. A. Robb
P. C. Hariharan
P. C. Hariharan
P. Pulay
R. Daudel
R. Ditchfield
R. Ditchfield
T. H. Dunning
V. Fock
W. England
W. England
W. J. Hehre
W. Niessen von
Zs. Ozoróczy
Publication venue: 'Springer Science and Business Media LLC'
Publication date
Field of study

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