Michael A. Robb

Research interests

Publications

• Electron Dynamics upon Ionization of Polyatomic Molecules: Coupling to Quantum Nuclear Motion and Decoherence

  Physical Review Letters · 2017 · https://doi.org/10.1103/physrevlett.118.083001

• Solving the time-dependent Schrödinger equation for nuclear motion in one step: direct dynamics of non-adiabatic systems

  Molecular Physics · 2008 · https://doi.org/10.1080/00268970802172503

• Ultrafast Deactivation of an Excited Cytosine−Guanine Base Pair in DNA

  Journal of the American Chemical Society · 2007 · https://doi.org/10.1021/ja069176c

• Triplet-State Formation along the Ultrafast Decay of Excited Singlet Cytosine

  Journal of the American Chemical Society · 2005 · https://doi.org/10.1021/ja044371h

• Photoactivation of the Photoactive Yellow Protein: Why Photon Absorption Triggers a Trans-to-Cis Isomerization of the Chromophore in the Protein

  Journal of the American Chemical Society · 2004 · https://doi.org/10.1021/ja039557f

• A novel algorithm for non-adiabatic direct dynamics using variational Gaussian wavepackets

  Faraday Discussions · 2004 · https://doi.org/10.1039/b314253a

• Can Diarylethene Photochromism Be Explained by a Reaction Path Alone? A CASSCF Study with Model MMVB Dynamics

  The Journal of Physical Chemistry A · 2003 · https://doi.org/10.1021/jp036862e

• Ultrafast Decay of Electronically Excited Singlet Cytosine via a π,π* to nO,π* State Switch

  Journal of the American Chemical Society · 2002 · https://doi.org/10.1021/ja0258273

• Ultrafast Radiationless Deactivation of Organic Dyes: Evidence for a Two-State Two-Mode Pathway in Polymethine Cyanines

  Journal of the American Chemical Society · 2000 · https://doi.org/10.1021/ja993985x

• A Computational Strategy for Organic Photochemistry

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

• 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

• 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

• Potential energy surface crossings in organic photochemistry

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

• A direct derivative MC-SCF procedure

  Chemical Physics Letters · 1996 · https://doi.org/10.1016/0009-2614(96)00027-9

• 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

• A direct method for the location of the lowest energy point on a potential surface crossing

  Chemical Physics Letters · 1994 · https://doi.org/10.1016/0009-2614(94)00433-1

• 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

• 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

• An evaluation of three direct MC-SCF procedures

  Chemical Physics Letters · 1992 · https://doi.org/10.1016/0009-2614(92)85244-5

• A simple MC SCF perturbation theory: Orthogonal valence bond Møller-Plesset 2 (OVB MP2)

  Chemical Physics Letters · 1988 · https://doi.org/10.1016/0009-2614(88)80296-3

• MC SCF gradient optimization of the H2CO→H2 + CO transition structure

  Chemical Physics Letters · 1982 · https://doi.org/10.1016/0009-2614(82)85052-5

• Direct minimization in mc scf theory. the quasi-newton method

  Chemical Physics Letters · 1981 · https://doi.org/10.1016/0009-2614(81)85480-2

• Application of unitary group methods to configuration interaction calculations

  Molecular Physics · 1979 · https://doi.org/10.1080/00268977900102871

Current projects

No projects listed.