Fernando Bernardi

Research interests

Publications

• Solvent Effects on the Vibrational Activity and Photodynamics of the Green Fluorescent Protein Chromophore: A Quantum-Chemical Study

  Journal of the American Chemical Society · 2005 · 10.1021/ja0451517

• A global investigation of excited state surfaces within time-dependent density-functional response theory

  The Journal of Chemical Physics · 2004 · 10.1063/1.1635798

• On the Mechanism of the cis−trans Isomerization in the Lowest Electronic States of Azobenzene: S 0 , S 1 , and T 1

  Journal of the American Chemical Society · 2004 · https://doi.org/10.1021/ja038327y

• A theoretical study of the lowest electronic states of azobenzene: the role of torsion coordinate in the cis–trans photoisomerization

  Theoretical Chemistry Accounts · 2003 · 10.1007/s00214-003-0528-1

• Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization

  Proceedings of the National Academy of Sciences · 2000 · https://doi.org/10.1073/pnas.97.17.9379

• A Computational Strategy for Organic Photochemistry

  Reviews in computational chemistry · 2000 · https://doi.org/10.1002/9780470125922.ch2

• Photoisomerization Path for a Realistic Retinal Chromophore Model: The Nonatetraeniminium Cation

  Journal of the American Chemical Society · 1998 · 10.1021/ja972695i

• Potential-energy surfaces for ultrafast photochemistry Static and dynamic aspects

  Faraday Discussions · 1998 · 10.1039/a802270d

• The C5H6NH2+ Protonated Shiff Base: An ab Initio Minimal Model for Retinal Photoisomerization

  Journal of the American Chemical Society · 1997 · https://doi.org/10.1021/ja9610895

• Ab Initio Photoisomerization Dynamics of a Simple Retinal Chromophore Model

  Journal of the American Chemical Society · 1997 · https://doi.org/10.1021/ja9725763

• The Azulene S1 State Decays via a Conical Intersection: A CASSCF Study with MMVB Dynamics

  Journal of the American Chemical Society · 1996 · https://doi.org/10.1021/ja9514555

• Potential energy surface crossings in organic photochemistry

  Chemical Society Reviews · 1996 · https://doi.org/10.1039/cs9962500321

• Conical intersections as a mechanistic feature of organic photochemistry

  Pure and Applied Chemistry · 1995 · https://doi.org/10.1351/pac199567050783

• What Happens during the Picosecond Lifetime of 2A1 Cyclohexa-1,3-diene? A CAS-SCF Study of the Cyclohexadiene/Hexatriene Photochemical Interconversion

  Journal of the American Chemical Society · 1994 · https://doi.org/10.1021/ja00101a037

• A conical intersection mechanism for the photochemistry of butadiene. A MC-SCF study

  Journal of the American Chemical Society · 1993 · https://doi.org/10.1021/ja00062a042

• An MC-SCF study of the S1 and S2 photochemical reactions of benzene

  Journal of the American Chemical Society · 1993 · https://doi.org/10.1021/ja00055a042

• Simulation of MC-SCF results on covalent organic multi-bond reactions: molecular mechanics with valence bond (MM-VB)

  Journal of the American Chemical Society · 1992 · 10.1021/ja00031a011

• Optimization and characterization of the lowest energy point on a conical intersection using an MC-SCF Lagrangian

  Chemical Physics Letters · 1992 · https://doi.org/10.1016/0009-2614(92)85758-3

• The mechanism of ground-state-forbidden photochemical pericyclic reactions: evidence for real conical intersections

  Journal of the American Chemical Society · 1990 · 10.1021/ja00161a013

• MC-SCF study of the Diels-Alder reaction between ethylene and butadiene

  Journal of the American Chemical Society · 1988 · 10.1021/ja00218a009

• MCSCF gradient calculation of transition structures in organic reactions

  Faraday Symposia of the Chemical Society · 1984 · 10.1039/fs9841900137

• A b i n i t i o computation of force constants. The second and third period hydrides

  The Journal of Chemical Physics · 1975 · 10.1063/1.431757

• Importance of nonbonded attraction in the stereochemistry of the SN2' reaction

  Journal of the American Chemical Society · 1975 · 10.1021/ja00856a002

• The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

  Molecular Physics · 1970 · https://doi.org/10.1080/00268977000101561

Current projects

No projects listed.