Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

June 2008

Volume 29, Issue 8

Pages 1187–1352

    1. A dual-level state-specific time-dependent density-functional theory (pages 1187–1197)

      Seiken Tokura, Takeshi Sato, Takao Tsuneda, Takahito Nakajima and Kimihiko Hirao

      Article first published online: 27 DEC 2007 | DOI: 10.1002/jcc.20871

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    2. Complete basis set limit of Ab initio binding energies and geometrical parameters for various typical types of complexes (pages 1208–1221)

      Seung Kyu Min, Eun Cheol Lee, Han Myoung Lee, Dong Young Kim, Dongwook Kim and Kwang S. Kim

      Article first published online: 11 DEC 2007 | DOI: 10.1002/jcc.20880

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    3. Assessment of performance of the general purpose polarizable force field QMPFF3 in condensed phase (pages 1242–1249)

      Alexander G. Donchev, Nikolay G. Galkin, Alexey A. Illarionov, Oleg V. Khoruzhii, Michael A. Olevanov, Vladimir D. Ozrin, Leonid B. Pereyaslavets and Vladimir I. Tarasov

      Article first published online: 27 DEC 2007 | DOI: 10.1002/jcc.20884

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    4. Kirchhoff atomic charges fitted to multipole moments: Implementation for a virtual screening system (pages 1332–1343)

      Olexander Yakovenko, Alexander A. Oliferenko, Volodymyr G. Bdzhola, Vladimir A. Palyulin and Nikolai S. Zefirov

      Article first published online: 2 JAN 2008 | DOI: 10.1002/jcc.20892

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