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doc icon DUGiDocs 2008 Automatic generation of active coordinates for quantum dynamics calculations: application to the dynamics of benzene photochemistry Lasorne, Benjamin ; Sicilia, Fabrizio ; Bearpark, Michael J. ; Robb, Michael A. ; Worth, Graham A. ; Blancafort San José, Lluís
out url icon Recercat Automatic generation of active coordinates for quantum dynamics calculations: application to the dynamics of benzene photochemistry Lasorne, Benjamin ; Sicilia, Fabrizio ; Bearpark, Michael J. ; Robb, Michael A. ; Worth, Graham A. ; Blancafort San José, Lluís
out url icon Recercat Conical intersection optimization based on a double Newton-Raphson algorithm using composed steps Ruiz-Barragán, Sergi ; Robb, Michael A. ; Blancafort San José, Lluís
doc icon DUGiDocs 2013 Conical intersection optimization based on a double Newton-Raphson algorithm using composed steps Ruiz-Barragán, Sergi ; Robb, Michael A. ; Blancafort San José, Lluís
doc icon DUGiDocs 2004 The curvature of the conical intersection seam: an approximate second-order analysis Paterson, Martin J. ; Bearpark, Michael J. ; Robb, Michael A. ; Blancafort San José, Lluís
out url icon Recercat The curvature of the conical intersection seam: an approximate second-order analysis Paterson, Martin J. ; Bearpark, Michael J. ; Robb, Michael A. ; Blancafort San José, Lluís
doc icon DUGiDocs 2003 A new efficient approach to the direct restricted active space self-consistent field method Klene, Michael ; Robb, Michael A. ; Blancafort San José, Lluís ; Frisch, Michael J.
out url icon Recercat A new efficient approach to the direct restricted active space self-consistent field method Klene, Michael ; Robb, Michael A. ; Blancafort San José, Lluís ; Frisch, Michael J.
out url icon Recercat Polarizable QM/MM multiconfiguration self-consistent field approach with state-specific corrections: Environment effects on cytosine absorption spectrum Li, Quansong ; Mennucci, Benedetta ; Robb, Michael A. ; Blancafort San José, Lluís ; Curutchet, Carles
doc icon DUGiDocs 2015 Polarizable QM/MM multiconfiguration self-consistent field approach with state-specific corrections: Environment effects on cytosine absorption spectrum Li, Quansong ; Mennucci, Benedetta ; Robb, Michael A. ; Blancafort San José, Lluís ; Curutchet, Carles
out url icon Recercat A valence bond description of the prefulvene extended conical intersection seam of benzene Blancafort San José, Lluís ; Robb, Michael A.
doc icon DUGiDocs 2012 A valence bond description of the prefulvene extended conical intersection seam of benzene Blancafort San José, Lluís ; Robb, Michael A.
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Autors


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