Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

June 1985

Volume 6, Issue 3

Pages fmi–fmi, 157–263

  1. Masthead

    1. Top of page
    2. Masthead
    3. Articles
    1. Masthead (page fmi)

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540060301

  2. Articles

    1. Top of page
    2. Masthead
    3. Articles
    1. Atom equivalents for relating ab initio energies to enthalpies of formation (pages 157–167)

      Mustafa R. Ibrahim and Paul Von Ragué Schleyer

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540060302

    2. Effects of alkylation upon the proton affinities of nitrogen and oxygen bases (pages 168–172)

      Paul Redfern and Steve Scheiner

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540060303

    3. Charge calculations in molecular mechanics. III: Amino acids and peptides (pages 173–181)

      Raymond J. Abraham and Brian Hudson

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540060304

    4. Ab initio investigation of the potential energy surfaces of C2H2F2 and C2H2F2+ (pages 189–199)

      Gernot Frenking, Wolfram Koch and Michael Schaale

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540060306

    5. Implementation of an electronic structure program system on the CYBER 205 (pages 200–208)

      Reinhart Ahlrichs, Hans-Joachim Böhm, Claus Ehrhardt, Peter Scharf, Heinz Schiffer, Hans Lischka and Michael Schindler

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540060307

    6. Pictorial representation of three-dimensional electron distributions through a perspective view of contour diagrams in a set of parallel planes (pages 209–215)

      Mary M. Gilbert, Jack J. Donn, Martha Peirce, Kenneth R. Sundberg and Klaus Ruedenberg

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540060308

    7. Cluster analysis of periodic distributions; application to conformational analysis (pages 216–228)

      L. Nørskov-Lauritsen and H. B. Bürgi

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540060309

    8. Operational method of data treatment (pages 229–236)

      G. L. Silver

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540060310

    9. Stereodynamics of triethylamine: Molecular mechanics calculations on the direct rotational racemization of the C3-symmetric conformers (pages 249–255)

      Stephen H. Fleischman, Eugen E. Weltin and C. Hackett Bushweller

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540060312

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