Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

30 January 2003

Volume 24, Issue 2

Pages 129–265

    1. An ab initio force field for the cofactors of bacterial photosynthesis (pages 129–142)

      Matteo Ceccarelli, Piero Procacci and Massimo Marchi

      Version of Record online: 9 DEC 2002 | DOI: 10.1002/jcc.10198

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    2. Parallel stored-integral and semidirect Hartree–Fock and DFT methods with data compression (pages 154–160)

      Alexander V. Mitin, Jon Baker, Krzysztof Wolinski and Peter Pulay

      Version of Record online: 9 DEC 2002 | DOI: 10.1002/jcc.10152

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    3. Hydride transfer catalyzed by xylose isomerase: Mechanism and quantum effects (pages 177–190)

      Mireia Garcia-Viloca, Cristóbal Alhambra, Donald G. Truhlar and Jiali Gao

      Version of Record online: 18 DEC 2002 | DOI: 10.1002/jcc.10154

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    4. An improved method for nonbonded list generation: Rapid determination of near-neighbor pairs (pages 222–231)

      Robert J. Petrella, Ioan Andricioaei, Bernard R. Brooks and Martin Karplus

      Version of Record online: 18 DEC 2002 | DOI: 10.1002/jcc.10123

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    5. Exact rotamer optimization for protein design (pages 232–243)

      D. Benjamin Gordon, Geoffrey K. Hom, Stephen L. Mayo and Niles A. Pierce

      Version of Record online: 19 DEC 2002 | DOI: 10.1002/jcc.10121

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    6. Computational study of epoxy-amine reactions (pages 244–253)

      Satoshi Okumoto and Shinichi Yamabe

      Version of Record online: 19 DEC 2002 | DOI: 10.1002/jcc.10138

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