Journal of Computational Chemistry

Cover image for Vol. 33 Issue 10

15 April 2012

Volume 33, Issue 10

Pages 1015–1089

  1. Full Papers

    1. Top of page
    2. Full Papers
    1. Stochastic model for photoinduced anisotropy (pages 1015–1022)

      Valentina Cantatore, Giovanni Granucci and Maurizio Persico

      Version of Record online: 13 FEB 2012 | DOI: 10.1002/jcc.22931

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    2. A [Fe(CB6)] platform for binding of small molecules: Insights from DFT calculations (pages 1047–1054)

      Sambath Baskaran, Masilamani Tamizmani, Thanigachalam Mahalakshmi and Chinnappan Sivasankar

      Version of Record online: 8 FEB 2012 | DOI: 10.1002/jcc.22936

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    3. An automated approach for the parameterization of accurate intermolecular force-fields: Pyridine as a case study (pages 1055–1067)

      Ivo Cacelli, Antonella Cimoli, Paolo Roberto Livotto and Giacomo Prampolini

      Version of Record online: 16 FEB 2012 | DOI: 10.1002/jcc.22937

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    4. Structural and static electric response properties of highly symmetric lithiated silicon cages: Theoretical predictions (pages 1068–1079)

      Emmanuel N. Koukaras, Aristides D. Zdetsis, Panaghiotis Karamanis, Claude Pouchan, Aggelos Avramopoulos and Manthos G. Papadopoulos

      Version of Record online: 16 FEB 2012 | DOI: 10.1002/jcc.22938

      Thumbnail image of graphical abstract

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