Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

September 2005

Volume 26, Issue 12

Pages 1205–1305

    1. Multistate active spaces from local CAS-SCF molecular orbitals: The photodissociation of HFCO as an example (pages 1254–1262)

      J. M. Junquera-Hernández, J. Pitarch-Ruiz, J. Sánchez-Marín, S. Evangelisti and D. Maynau

      Article first published online: 17 JUN 2005 | DOI: 10.1002/jcc.20262

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    2. A path from Ih to C1 symmetry for C20 cage molecule (pages 1279–1283)

      Zhigang Wang, Keyan Lian, Shoufu Pan and Xianhong Fan

      Article first published online: 21 JUN 2005 | DOI: 10.1002/jcc.20268

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    3. Energetic and topological analyses of the oxidation reaction between Mon (n = 1, 2) and N2O (pages 1284–1293)

      Maria Del Carmen Michelini, Nino Russo, Mohammad Esmaïl Alikhani and Bernard Silvi

      Article first published online: 24 JUN 2005 | DOI: 10.1002/jcc.20269

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