International Journal of Quantum Chemistry

Copyright © 2013 Wiley Periodicals, Inc., A Wiley Company

Cover image for International Journal of Quantum Chemistry

2003

Volume 93, Issue 1

Pages 1–47

  1. Theoretical and Computational Developments

    1. Top of page
    2. Theoretical and Computational Developments
    3. Theoretical Biochemistry and Biophysics
    1. Transparent interface between classical molecular dynamics and first-principles molecular dynamics (pages 1–8)

      Mao-Hua Du and Hai-Ping Cheng

      Article first published online: 14 FEB 2003 | DOI: 10.1002/qua.10480

    2. Calculation of molecular electric and magnetic multipole moment integrals of integer and noninteger n Slater orbitals using overlap integrals (pages 9–19)

      I. I. Guseinov and B. A. Mamedov

      Article first published online: 21 FEB 2003 | DOI: 10.1002/qua.10522

    3. Systematic search of bounds for total π-electron energy (pages 20–31)

      Daniel A. Morales

      Article first published online: 28 FEB 2003 | DOI: 10.1002/qua.10535

  2. Theoretical Biochemistry and Biophysics

    1. Top of page
    2. Theoretical and Computational Developments
    3. Theoretical Biochemistry and Biophysics
    1. Conformational and electronic study of N-phenylalkyl-3,4-dichloromaleimides: Ab initio and DFT study (pages 32–46)

      Miguel A. Zamora, Marcelo F. Masman, José A. Bombasaro, Mónica L. Freile, Valdir Cechinel Filho, Silvia N. López, Susana A. Zacchino and Ricardo D. Enriz

      Article first published online: 19 FEB 2003 | DOI: 10.1002/qua.10524

    1. You have free access to this content
      Erratum: Calculation of matrix elements in relativistic quantum mechanics (page 47)

      A. C. Ilarraza-Lomelí, M. N. Valdés-Martínez, A. L. Salas-Brito, R. P. Martínez-y-Romero and H. N. Núñez-Yépez

      Article first published online: 28 FEB 2003 | DOI: 10.1002/qua.10557

SEARCH

SEARCH BY CITATION