New Algorithms for Optimizing and Linking Conical Intersection Points
Sicilia, Fabrizio, Blancafort, Lluís, Bearpark, Michael J, Robb, Michael A
Published in Journal of chemical theory and computation (01.02.2008)
Published in Journal of chemical theory and computation (01.02.2008)
Get full text
Journal Article
Quadratic Description of Conical Intersections: Characterization of Critical Points on the Extended Seam
Sicilia, Fabrizio, Blancafort, Lluís, Bearpark, Michael J, Robb, Michael A
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.03.2007)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.03.2007)
Get full text
Journal Article
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, Lluìs
Published in The Journal of chemical physics (28.03.2008)
Published in The Journal of chemical physics (28.03.2008)
Get more information
Journal Article
An analytical second-order description of the S0/S1 intersection seam: fulvene revisited
Sicilia Fabrizio, Bearpark Michael J, Blancafort Lluìs, Robb, Michael A
Published in Theoretical chemistry accounts (01.01.2007)
Published in Theoretical chemistry accounts (01.01.2007)
Get full text
Journal Article
trans , trans , trans -Diacetonitriledibromobis(4-fluoroaniline)nickel(II)
Fawcett, John, Sicilia, Fabrizio, Solan, Gregory A
Published in Acta crystallographica. Section E, Structure reports online (15.07.2005)
Published in Acta crystallographica. Section E, Structure reports online (15.07.2005)
Get full text
Journal Article
trans,trans,trans‐Diacetonitriledibromobis(4‐fluoroaniline)nickel(II)
Fawcett, John, Sicilia, Fabrizio, Solan, Gregory A
Published in Acta crystallographica. Section E, Structure reports online (01.07.2005)
Published in Acta crystallographica. Section E, Structure reports online (01.07.2005)
Get full text
Journal Article