Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

30 January 2004

Volume 25, Issue 2

Pages 153–309

    1. Computational study of conformational preferences of thioamide-containing azaglycine peptides (pages 169–178)

      Ho-Jin Lee, Jong Hyun Kim, Hee Jung Jung, Kun-Young Kim, Eun-Jung Kim, Young-Sang Choi and Chang-Ju Yoon

      Version of Record online: 17 NOV 2003 | DOI: 10.1002/jcc.10364

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    2. Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis (pages 189–210)

      Célia Fonseca Guerra, Jan-Willem Handgraaf, Evert Jan Baerends and F. Matthias Bickelhaupt

      Version of Record online: 18 NOV 2003 | DOI: 10.1002/jcc.10351

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    3. Characterization of dynamics and reactivities of solvated ions by ab initio simulations (pages 211–217)

      Thomas S. Hofer, Hung T. Tran, Christian F. Schwenk and Bernd M. Rode

      Version of Record online: 18 NOV 2003 | DOI: 10.1002/jcc.10374

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    4. Density functional investigation of reaction of borohydride cation BHmath image with propylene (pages 258–264)

      Zheng-Wang Qu, Hui Zhu, Ze-Sheng Li, Xing-Kang Zhang and Qi-Yuan Zhang

      Version of Record online: 20 NOV 2003 | DOI: 10.1002/jcc.10229

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    5. Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures (pages 265–284)

      Michael Feig, Alexey Onufriev, Michael S. Lee, Wonpil Im, David A. Case and Charles L. Brooks III

      Version of Record online: 20 NOV 2003 | DOI: 10.1002/jcc.10378

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    6. On the flexibility of β-peptides (pages 285–307)

      Tamás Beke, Imre G. Csizmadia and András Perczel

      Version of Record online: 20 NOV 2003 | DOI: 10.1002/jcc.10357

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      Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF (page 308)

      Jean-Philip Piquemal, Ben Williams-Hubbard, Natalie Fey, Robert J. Deeth, Nohad Gresh and Claude Giessner-Prettre

      Version of Record online: 20 NOV 2003 | DOI: 10.1002/jcc.10415

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