Joseph G. Fripiat: search on Z-Library

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1

Efficient calculation of the exchange in the Fourier representation of HF-LCAO-CO equations for 1D periodic systems

Joseph G. Fripiat, Joseph Delhalle

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 247 KB

english, 2009

2

Convergence of exchange lattice summations in direct-space polymer calculations

Denis Jacquemin, Joseph G. Fripiat, Benoît Champagne

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 181 KB

english, 2002

3

On the restricted Hartree-Fock description of oligomer chains with expected metallic character

Jean-Marie André, Joseph Delhalle, Joseph G. Fripiat, Geneviève Hennico, Jean-Louis Calais, Lucjan Piela

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1988

Language:

english

File:

PDF, 884 KB

english, 1988

4

A Combined Analytical and Numerical Strategy to Solve the Atomic Hartree-Fock Equations in Momentum Space

Laurent deWindt, Patrick Fischer, Mireille Defranceschi, Joseph Delhalle, Joseph G. Fripiat

Journal:

Journal of Computational Physics

Year:

1994

File:

PDF, 373 KB

1994

5

Improving the one-electron states of ab initio LCAO-GTO calculations in momentum space. Application to Be and B+ atoms

Laurent De Windt, Joseph G. Fripiat, Joseph Delhalle, M. Defranceschi

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 927 KB

english, 1992

6

Improving the One-Electron States of ab initio GTO Calculations in Momentum Space. Tests on two-Electron Systems: H−, He and Li−+

Joseph Delhalle, Joseph G. Fripiat, Mireille Defranceschi

Journal:

Bulletin des Sociétés Chimiques Belges

Year:

1990

Language:

english

File:

PDF, 476 KB

english, 1990

7

Ab initio determination of polarizabilities per subunit in polymeric systems using the polarization propagator: Application to model hydrogen chains

Benoît Champagne, David H. Mosley, Joseph G. Fripiat, Jean–Marie André

Journal:

International Journal of Quantum Chemistry

Year:

1993

Language:

english

File:

PDF, 871 KB

english, 1993

8

Quantum mechanical approach to the chemisorption of molecular hydrogen on defect magnesium oxide surfaces

Jean -Marie André, Eric G. Derouane, Joseph G. Fripiat, Daniel P. Vercauteren

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1977

Language:

english

File:

PDF, 664 KB

english, 1977

9

Gas-phase ultraviolet photoelectron spectroscopic study of the 3,7-diphenyl- and 3,7-bis(dimethylamino)-1,5-dithia-2,4,6,8-tetrazocines

Boutique, Jean-Pol, Lazzaroni, Roberto, Riga, Joseph, Verbist, Jacques J., Pfister-Guillouzo, Genevi�ve, Delhalle, Joseph, Fripiat, Joseph G., Haddon, Robert C., Kaplan, Martin D.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1987

Language:

english

File:

PDF, 440 KB

english, 1987

10

L'espace des impulsions: un espace pour le calcul et l'analyse de la structure electronique

Mireille Defranceschi, Laurent De Windt, Joseph G. Fripiat, Joseph Delhalle

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

File:

PDF, 1.15 MB

1992

11

SPIE Proceedings [SPIE San Diego '92 - San Diego, CA (Sunday 19 July 1992)] Nonlinear Optical Properties of Organic Materials V - Ab initio Hartree Fock longitudinal polarizabilities per subunit of stereoregular polymers

Champagne, Benoit, Mosley, David H., Fripiat, Joseph G., Andre, Jean-Marie, Williams, David J.

Year:

1993

Language:

english

File:

PDF, 655 KB

english, 1993

12

On the use of laplace transform to evaluate one-dimensional lattice summations in quantum calculations of model polymers

Joseph Delhalle, Joseph G. Fripiat, Lucjan Piela

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 544 KB

english, 1980

13

Unrestricted Hartree–Fock band structure calculations for polymers: Application to a cross-talk system

Poulsen, Tina D., Mikkelsen, Kurt V., Fripiat, Joseph G., Champagne, Benoı̂t

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 393 KB

english, 2000

14

Numerical integration of exchange energy in the two-dimensional Brillouin zone

Harris, Frank E, Fripiat, Joseph G, Delhalle, Joseph

Journal:

Journal of Physics Condensed Matter

Year:

2006

Language:

english

File:

PDF, 183 KB

english, 2006

15

Computational aspects of polymer band structure calculations by the Fourier space restricted Hartree–Fock method

Joseph G. Fripiat, Isabelle Flamant, Frank E. Harris, Joseph Delhalle

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 164 KB

english, 2000

16

From uncoupled to coupled Hartree–Fock polarizabilities of infinite polymeric chains. Pariser–Parr–Pople applications to the polyacetylene chains

Champagne, Benoi^t, Fripiat, Joseph G., André, Jean-Marie

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 940 KB

english, 1992

17

Non-empirical quantum mechanical calculations on pentasil-type zeolites

Joseph G. Fripiat, Francoise Berger-André, Jean-Marie André, Eric G. Derouanc

Journal:

Year:

1983

Language:

english

File:

PDF, 365 KB

english, 1983

18

Ab initio investigation of the static polarizability of planar and twisted infinite polythiophene chains

David H. Mosley, Joseph G. Fripiat, Benoît Champagne, Jean-Marie André

Journal:

International Journal of Quantum Chemistry

Year:

1994

Language:

english

File:

PDF, 820 KB

english, 1994

19

Dimerization versus complexation of triethylaluminum and diethylaluminum chloride: an ab initio determination of structures, energies of formation, and vibrational spectra

Benoı̂t Champagne, David H Mosley, Joseph G Fripiat, Jean-Marie André, Albert Bernard, Serge Bettonville, Philippe François, Ardéchir Momtaz

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 219 KB

english, 1998

20

Delocalization of the acid function in molecular sieves

Eric G. Derouane, Joseph G. Fripiat, Jean-Marie André

Journal:

Year:

1990

Language:

english

File:

PDF, 196 KB

english, 1990

21

Exchange contributions in the electronic structure of systems with 1D-periodicity: Importance and computation

Joseph Delhalle, Joseph G. Fripiat, Frank E. Harris

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 119 KB

english, 2002

22

Efficient computation of electron-repulsion integrals in ab initio studies of polymeric systems

David H. Mosley, Joseph G. Fripiat, Benoît Champagne, Jean-Marie André

Journal:

International Journal of Quantum Chemistry

Year:

1993

Language:

english

File:

PDF, 691 KB

english, 1993

23

Fourier Space Uncoupled Hartree–Fock Polarizabilities of One-Dimensionally Periodic Systems. Polyethylene and Polysilane Revisited

Fripiat, Joseph G., Champagne, Benoît, Harris, Frank E.

Journal:

Zeitschrift für Physikalische Chemie

Year:

2016

Language:

english

File:

PDF, 1.91 MB

english, 2016

24

Structure électronique des dianions B 12 H 122− et B 9 C 2 Hn 2−

Goursot, Annick, Pénigault, Edouard, Chermette, Henry, Fripiat, Joseph G.

Journal:

Canadian Journal of Chemistry

Year:

1986

File:

PDF, 304 KB

1986

25

Ab initio investigation of the electronic properties of planar and twisted polyparaphenylenes

Champagne, Benoît, Mosley, David H., Fripiat, Joseph G., André, Jean-Marie

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 231 KB

english, 1996

26

Structural and electronic analysis of peripheral benzodiazepine ligands: Description of the pharmacophoric elements for their receptors

Guy Georges, Daniel P. Vercauteren, Didier J. Vanderveken, Rudi Horion, Guy Evrard, Joseph G. Fripiat, Jean-Marie Andre, Francois Durant

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 1.51 MB

english, 1990

27

Virtues and potentialities of the Fourier transform method for electronic structure calculations of 1-D periodic systems at the Hartree–Fock level and beyond

Joseph Delhalle, Joseph G. Fripiat, Frank E. Harris

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 119 KB

english, 2002

28

Ewald-type formulas for Gaussian-basis Bloch states in one-dimensionally periodic systems

Fripiat, Joseph G., Delhalle, Joseph, Flamant, Isabelle, Harris, Frank E.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 214 KB

english, 2010

29

MP2 correlation effects upon the electronic and vibrational properties of polyyne

Poulsen, Tina D., Mikkelsen, Kurt V., Fripiat, Joseph G., Jacquemin, Denis, Champagne, Benoı̂t

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 302 KB

english, 2001

30

Fourier representation methods for Møller–Plesset perturbation theory in one-dimensionally periodic systems

Joseph G. Fripiat, Joseph Delhalle, Frank E. Harris

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 115 KB

english, 2006

31

Electronic Band Structure of Helical Polyisocyanides

Champagne, Benoît, Liégeois, Vincent, Fripiat, Joseph G., Harris, Frank E.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.21 MB

english, 2017

32

Equilbrium geometry and electrical polarizability of formic acid, formamide and their cyclic hydrogen-bonded paris

Magdalena Dory, Joseph Delhalle, Joseph G. Fripiat, Jean-Marie Andre

Journal:

International Journal of Quantum Chemistry

Year:

1987

Language:

english

File:

PDF, 1.02 MB

english, 1987

33

Ewald-type formulas for Gaussian-basis studies of one-dimensionally periodic systems

Joseph G. Fripiat, Frank E. Harris

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 308 KB

english, 2012

34

Evaluation of computational aspects of a modified CS-LCAO-SCF-CO strategy for electronic structure calculations of extended model chains

Joseph Delhalle, Joseph G. Fripiat, Frank E. Harris

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 548 KB

english, 1984

35

[Advances in Quantum Chemistry] Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris - Part A Volume 71 || The Fourier Space Restricted Hartree–Fock Method for the Electronic Structure Calculation of One-Dimensionally Periodic Systems

Fripiat, Joseph G.

Year:

2015

Language:

english

File:

PDF, 778 KB

english, 2015

36

On the convergence of the exchange-like sums in the random phase approximation applied to stereoregular polymers

Benoît Champagne, Joseph G. Fripiat, David H. Mosley, Jean-Marie André

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 478 KB

english, 1995

37

Electron density and related properties in stereoregular polymers and biopolymers

Jean-Marie André, Daniel P. Vercauteren, Joseph G. Fripiat

Journal:

Journal of Computational Chemistry

Year:

1984

Language:

english

File:

PDF, 329 KB

english, 1984

38

The Fourier space restricted Hartree-Fock method for the electronic structure calculation of linear poly(tetrafluoroethylene)

Fripiat, Joseph G., Harris, Frank E.

Journal:

Science China Chemistry

Year:

2014

Language:

english

File:

PDF, 901 KB

english, 2014

39

On the behaviour of exchange in restricted hartree-fock-roothaan calculations for periodic polymers

Lucjan Piela, Jean-Marie André, Joseph G. Fripiat, Joseph Delhalle

Journal:

Chemical Physics Letters

Year:

1981

Language:

english

File:

PDF, 806 KB

english, 1981

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