Title: Structural Features Analysis and Nonlinearity of End-Cap-Substituted Polyacetylenes Author(s): Borini, S.; Limacher, P. A.; Luethi, H. P. Source: Journal of Physical Chemistry A Volume: 114 Issue: 5 Pages: 2221–2229 Published: 2010 DOI: 10.1021/jp908439x
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Title: A systematic analysis of the structure and (hyper)polarizability of donor-acceptor substituted polyacetylenes using a Coulomb-attenuating density functional Author(s): Borini, Stefano; Limacher, Peter A.; Luthi, Hans Peter Source: The Journal of Chemical Physics Volume: 131 Issue: 12 Pages: 124105-10 Published: 2009 Author-provided URL :
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28-Sep-09
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Title: Computational Biology Series Author(s): USSERY, DW; WASSENAAR, TM; BORINI, S Source: Computational Biology Series Published: 2009
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23-Jun-09
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Title: Acetone-water complexes at MRCI level using localized orbitals: n ->pi* and pi ->pi* electronic transitions Author(s): HOYAU, S; BEN AMOR, N; BORINI, S; et al. Source: CHEMICAL PHYSICS LETTERS Volume: 451 Issue: 1-3 Pages: 141-146 Published: JAN 14 2008 Times Cited: 9
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Title: Common format for quantum chemistry interoperability: Q5Cost format and library Author(s): SCEMAMA, A; MONARI, A; ANGELI, C; et al. Conference: International Conference on Computational Science and Its Applications (ICCSA 2008) Volume: 5072 Pages: 1094-1107 Year: 2008 Times Cited: 6
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Title: FORTRAN interface for code interoperability in quantum chemistry: The Q5Cost library Author(s): BORINI, S; MONARI, A; ROSSI, E; et al. Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING Volume: 47 Issue: 3 Pages: 1271-1277 Published: MAY-JUN 2007 Times Cited: 18
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Title: The effect of the basis-set superposition error on the calculation of dispersion interactions: A test study on the neon dimer Author(s): MONARI, A; BENDAZZOLI, GL; EVANGELISTI, S; et al. Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 3 Issue: 2 Pages: 477-485 Published: MAR-APR 2007 Times Cited: 12
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09-Mar-09
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Title: The problem of interoperability: A common data format for quantum chemistry codes Author(s): ANGELI, C; BENDAZZOLI, GL; BORINI, S; et al. Source: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY Volume: 107 Issue: 11 Pages: 2082-2091 Published: SEP 2007 Times Cited: 20
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Title: Developments in the n-electron valence state perturbation theory Author(s): ANGELI, C; BORINI, S; CAVALLINI, A; et al. Source: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY Volume: 106 Issue: 3 Pages: 686-691 Published: MAR 5 2006 Times Cited: 2
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Title: A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states Author(s): ANGELI, C; BORINI, S; FERRIGHI, L; et al. Source: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM Volume: 718 Issue: 1-3 Pages: 55-69 Published: MAR 31 2005 Times Cited: 8
