Yves G. Smeyers: search on Z-Library

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1

Analyse de la Fonction Hartree-Fock Semi-Projetée. Problème des Solutions Multiples

Yves Gabriel Smeyers, Gerardo Delgado-Barrio

Journal:

Bulletin des Sociétés Chimiques Belges

Year:

1976

File:

PDF, 199 KB

1976

2

Extended Hartree–Fock calculations for the helium ground state

Roland Lefebvre, Yves G. Smeyers

Journal:

International Journal of Quantum Chemistry

Year:

1967

Language:

english

File:

PDF, 830 KB

english, 1967

3

A structural and pharmacological study of alkaloids of Vinca Minor

Yves G. Smeyers, Nadine J. Smeyers, Juan J. Randez, A. Hernandez-Laguna, E. Galvez-Ruano

Journal:

Molecular Engineering

Year:

1991

Language:

english

File:

PDF, 466 KB

english, 1991

4

[Advances in Quantum Chemistry] Advances in Quantum Chemistry Volume 24 Volume 24 || Introduction to Group Theory for Non-Rigid Molecules

Smeyers, Yves G.

Year:

1992

Language:

english

File:

PDF, 3.22 MB

english, 1992

5

Half-projected Hartree–Fock model for computing potential-energy surfaces

Yves G. Smeyers, Angel M. BruceñNta

Journal:

International Journal of Quantum Chemistry

Year:

1978

Language:

english

File:

PDF, 372 KB

english, 1978

6

Ab initio determination of the infrared phosphine torsion spectrum in vinylphosphine with ZPE correction

F. J. Meléndez, B. Gallego-Luxan, Jean Demaison, Yves G. Smeyers

Journal:

Journal of Computational Chemistry

Year:

2000

Language:

english

File:

PDF, 190 KB

english, 2000

7

Exploring the potential energy hypersurfaces for the triple symmetric inversion in 3-azabicyclo[3.3.1]nonan-9-one and its N-methyl derivative

Yves G. Smeyers, A. Hernandez-Laguna, Nadine J. Smeyers, M.S. Arias-Perez, M.J. Fernandez

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1993

Language:

english

File:

PDF, 561 KB

english, 1993

8

Theoretical study of some H2-receptor agonists of histamine. The H2-essential conformation of histamine

Yves G. Smeyers, F.J. Romero-Sánchez, A. Hernández-Laguna

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1985

Language:

english

File:

PDF, 677 KB

english, 1985

9

[Progress in Theoretical Chemistry and Physics] New Trends in Quantum Systems in Chemistry and Physics Volume 7 ||

Maruani, Jean, Minot, Christian, McWeeny, Roy, Smeyers, Yves G., Wilson, Stephen

Year:

2002

Language:

english

File:

PDF, 11.15 MB

english, 2002

10

Ab initio calculations and analysis of the torsional spectra of dimethylamine and dimethylphosphine

Senent, M. Luisa, Smeyers, Yves G.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 395 KB

english, 1996

11

Spectres et étude conformationnelle des dérivés méthyles de l'acide benzoïque

Yves G. Smeyers, Carlos Sieiro

Journal:

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

Year:

1973

File:

PDF, 382 KB

1973

12

Character tables and symmetry eigenvectors for two C3v rotor molecular systems

Yves G. Smeyers, A. Niño

Journal:

Journal of Computational Chemistry

Year:

1987

Language:

english

File:

PDF, 675 KB

english, 1987

13

Ab initiostudy of the methyl internal rotation and aldehyde hydrogen wagging of thioacetaldehyde in the X1A′ and a3A″ states

Yves G. Smeyers, A. Niño, M. N. Bellido

Journal:

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

Year:

1988

Language:

english

File:

PDF, 435 KB

english, 1988

14

Stability conditions for the solutions of the half-projected Hartree-Fock scheme. The lithium-hydride ground state

Smeyers, Yves Gabriel, Delgado-Barrio, Gerardo

Journal:

Physical Review A

Year:

1977

Language:

english

File:

PDF, 311 KB

english, 1977

15

Ab InitioDetermination of the Torsional and Wagging FIR Spectrum of Methylamine

Yves G. Smeyers, Maria Villa, M.Luisa Senent

Journal:

Journal of Molecular Spectroscopy

Year:

1996

Language:

english

File:

PDF, 205 KB

english, 1996

16

ETO multicenter molecular integrals. Edited by Charles A. Weatherford and Herbert W. Jones, D. Reidel P., Dordrecht, Holland, 1982. ISBN 90-277-1488-6

Yves G. Smeyers

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 77 KB

english, 1984

17

About evaluation of many-center molecular integrals

Yves G. Smeyers

Journal:

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

Year:

1966

Language:

english

File:

PDF, 445 KB

english, 1966

18

Comparative structural study of histamine and its 4-substituted derivatives

Yves G. Smeyers, A. Hernández-Laguna, J.J. Rández, F.J. Rández

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 690 KB

english, 1990

19

The half projected Hartree-Fock function for determining singlet excited states. Application to cyclobutanone and 3-cyclopenten-1-one

Yves G. Smeyers, M.Belén Ruiz, Peter P. Otto

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 621 KB

english, 1997

20

Preface

Yves G. Smeyers, Roy E. Bruns

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 58 KB

english, 1997

21

Potential energy surface determination for non rigid molecules. Two-rotor molecules

Yves G. Smeyers

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 844 KB

english, 1984

22

The effects of the CO wagging coordinate relaxation on the far-infrared torsional spectrum of acetone

F.J. Meléndez, M. Luisa Senent, Yves G. Smeyers

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 258 KB

english, 1997

23

Analysis of the spatial electronic correlation introduced by the omega approach in an atomic system. Application to beryllium

Yves G. Smeyers, G. Delgado-Barrio, L. Doreste-Suarez, J.M. Martin-Gonzalez, E. Ruiz-Egea

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1988

Language:

english

File:

PDF, 146 KB

english, 1988

24

[Progress in Theoretical Chemistry and Physics] New Trends in Quantum Systems in Chemistry and Physics Volume 7 || Excited States of Hydrogen Peroxide: An Overview

Maruani, Jean, Minot, Christian, McWeeny, Roy, Smeyers, Yves G., Wilson, Stephen

Year:

2002

Language:

english

File:

PDF, 926 KB

english, 2002

25

Half-Projected and Projected Hartree-Fock Calculations for Singlet Ground States. i. four-Electron Atomic Systems

Yves G. Smeyers, L. Doreste-Suarez

Journal:

International Journal of Quantum Chemistry

Year:

1973

Language:

english

File:

PDF, 552 KB

english, 1973

26

Preface

Yves G. Smeyers, Luiz C. Gomide Freitas, W.J. Orville-Thomas

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 63 KB

english, 1995

27

Quantum mechanical calculations useful for determining the mechanism of action of fosfomycin

Yves G. Smeyers, A. Hernandez-Laguna, C. Von Carstenn-Lichterfelde

Journal:

Journal of Pharmaceutical Sciences

Year:

1983

Language:

english

File:

PDF, 444 KB

english, 1983

28

Electronic structure and conformational properties of (carboxy-alkenyl)-phosphonic acids

C.Ignacio Sainz-Díaz, A. Hernández-Laguna, Yves G. Smeyers

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 1.01 MB

english, 1997

29

A study of the molecular orbital localization into an extended Hartree—Fock approach: Application to the BeH2 ground state

Yves G. Smeyers, A. González-Guerra, J. Martín-González, P. Fernández-Serra

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 831 KB

english, 1996

30

A new extended Hartfree-Fock function: The omega function.I.

Yves G. Smeyers, G. Delgado-Barrio, L. Doreste-Suarez, J.M. Martin-Gonzalez, E. Ruiz-Egea

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1985

Language:

english

File:

PDF, 340 KB

english, 1985

31

Vibrational spectrum of pyrazinecarbaldehyde

Botella, Vicente, Hern�ndez-Laguna, Alfonso, Smeyers, Yves G., Martin-Delgado, Mar�a Jos�, Macedo, Mar�a Josefa, Suero, Mar�a Isabel

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1993

Language:

english

File:

PDF, 758 KB

english, 1993

32

Dynamical and spectroscopic studies of nonrigid molecules: Application to the thioacetone electronic ground state

Yves G. Smeyers, M. Luisa Senent, David C. Moule

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 316 KB

english, 1990

33

Quantum mechanical study and nuclear magnetic resonance measurements of some α-arylcarboxyalkyl acids as anti-inflammatory agents

Yves G. Smeyers, A. Hernandez-Laguna, C. Munoz-Caro, J. Aguilera, E. Galvez-Ruano, M. S. Arias-Perez

Journal:

Journal of Pharmaceutical Sciences

Year:

1989

Language:

english

File:

PDF, 393 KB

english, 1989

34

Preface: XI Brazilian Symposium on Theoretical Chemistry, 18–21 November 2001, Hotel Glória, Caxambu, Minas Gerais, Brazil

Yves G. Smeyers, Wagner B. De Almeida

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 48 KB

english, 2003

35

Potential energy surface determinations for nonrigid molecules: Application to acetone

Yves G. Smeyers, M. Nieves Bellido

Journal:

International Journal of Quantum Chemistry

Year:

1983

Language:

english

File:

PDF, 504 KB

english, 1983

36

Editorial

Yves G. Smeyers, Fernando R. Ornellas, W.J. Orville-Thomas

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1993

Language:

english

File:

PDF, 75 KB

english, 1993

37

A proposed topography for the histamine H2-receptor from structural AM1 calculations

Fulvia M.L.G. Stamato, Elson Longo, Marco A. Perez, Marcio A.P. Guimaraes Jr., Yves G. Smeyers

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 634 KB

english, 1992

38

Preface

Yves G. Smeyers, M.A. Chaer Nascimento

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 28 KB

english, 2002

39

Half-projected Hartree–Fock calculations for the spectroscopic parameters, frequencies, and intensities of the torsional mode of the lowest lying singlet excited states of hydrogen peroxide

Prasanta K. Mukherjee, M. Luisa Senent, Yves G. Smeyers

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 158 KB

english, 1999

40

Preface

Yves G Smeyers, Jean P Malrieu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 30 KB

english, 2003

41

The omega function for the lithium atom

Yves G. Smeyers, G. Delgado-Barrio, L. Doreste-Suárez, J. M. Martin-González

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 352 KB

english, 1986

42

The non-rigid group for wagging and torsion modes in methvlamine

Yves G. Smeyers, Maria Villa, Elba Ortiz

Journal:

Journal of Mathematical Chemistry

Year:

1995

Language:

english

File:

PDF, 486 KB

english, 1995

43

Conformational Study of 2,4-Diaryl-3-azabicyclo[3.3.1]nonan-9-ones and Their 3-Methyl Derivatives by Quantum Mechanical Calculations, NMR, and X-ray Crystallography

Arias, Maria-Selma, Smeyers, Yves G., Fernandez, Maria-Jose, Smeyers, Nadine J., Galvez, Enrique, Fonseca, Isabel, Sanz-Aparicio, Juliana

Journal:

Journal of Organic Chemistry

Year:

1994

Language:

english

File:

PDF, 654 KB

english, 1994

44

Internal dynamics of nonrigid molecules. I. Application to acetone

Yves G. Smeyers, M. Nieves Bellido

Journal:

International Journal of Quantum Chemistry

Year:

1981

Language:

english

File:

PDF, 614 KB

english, 1981

45

Preface

Yves Gabriel Smeyers, Alfonso Hernández-Laguna

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 81 KB

english, 1998

46

[Topics in Molecular Organization and Engineering] Quantum Systems in Chemistry and Physics. Trends in Methods and Applications Volume 16 || Core-Valence Separation for an Open-Shell Atom in the LST-DFT

McWeeny, Roy, Maruani, Jean, Smeyers, Yves G., Wilson, Stephen

Year:

1997

Language:

english

File:

PDF, 1.43 MB

english, 1997

47

[Advances in Quantum Chemistry] Volume 36 || The half projected hartree-fock model for determining singlet excited states.

Smeyers, Yves G.

Year:

2000

Language:

english

File:

PDF, 802 KB

english, 2000

48

Comparative CNDO/2 study of the molecular determinants for H2-receptor agonist activity in histamine and betazole agonist activity in histamine and betazole

Yves G Smeyers, Camelia Muñoz-Caro

Journal:

European Journal of Medicinal Chemistry

Year:

1989

Language:

english

File:

PDF, 249 KB

english, 1989

49

Potential energy calculations for the double internal rotation in acetone and dimethylamine

Yves G. Smeyers, Antonio Huertas-Cabrera, Sandor Suhai

Journal:

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

Year:

1983

Language:

english

File:

PDF, 444 KB

english, 1983

50

Editorial

Yves Gabriel Smeyers, Alejandro Toro-Labbé

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 92 KB

english, 1997

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