Imperial College London
Alternate

Professor Mike Robb, FRS

Faculty of Natural Sciences, Department of Chemistry

Chair in Chemistry
 
 
 
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Contact

 

+44 (0)20 7594 5757mike.robb Website

 
 
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Location

 

301cMolecular Sciences Research HubWhite City Campus

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Summary

 

Publications

Publication Type
Year
to

392 results found

Marcus R, Beratan D, Nitzan A, Kauffmann H, Knoester J, Renger T, Beratan D, Renger T, Harris RA, Beratan D, Olaya-Castro A, Robb MA, Cogdell RD, Knoester J, Fleming Get al., 2011, Discussions on Session 2B: Quantum effects in chemistry, 22nd Solvay Conference on Chemistry - Quantum Effects in Chemistry and Biology, Publisher: ELSEVIER SCIENCE BV, ISSN: 1876-6196

Conference paper

Li Q, Mendive-Tapia D, Paterson MJ, Migani A, Bearpark MJ, Robb MA, Blancafort Let al., 2010, A global picture of the S<sub>1</sub>/S<sub>0</sub> conical intersection seam of benzene, CHEMICAL PHYSICS, Vol: 377, Pages: 60-65, ISSN: 0301-0104

Journal article

Lasorne B, Robb MA, Meyer H-D, Gatti Fet al., 2010, The electronic excited states of ethylene with large-amplitude deformations: A dynamical symmetry group investigation, CHEMICAL PHYSICS, Vol: 377, Pages: 30-45, ISSN: 0301-0104

Journal article

Araujo M, Lasorne B, Magalhaes AL, Bearpark M, Robb MAet al., 2010, Controlling Product Selection in the Photodissociation of Formaldehyde: Direct Quantum Dynamics from the S<sub>1</sub> Barrier, JOURNAL OF PHYSICAL CHEMISTRY A, Vol: 114, Pages: 12016-12020, ISSN: 1089-5639

Journal article

Allan CSM, Lasorne B, Worth GA, Robb MAet al., 2010, A Straightforward Method of Analysis for Direct Quantum Dynamics: Application to the Photochemistry of a Model Cyanine, JOURNAL OF PHYSICAL CHEMISTRY A, Vol: 114, Pages: 8713-8729, ISSN: 1089-5639

Journal article

Jornet-Somoza J, Deumal M, Robb MA, Landee CP, Turnbull MM, Feyerherm R, Novoa JJet al., 2010, First-Principles Bottom-Up Study of 1D to 3D Magnetic Transformation in the Copper Pyrazine Dinitrate <i>S</i>=1/2 Antiferromagnetic Crystal, INORGANIC CHEMISTRY, Vol: 49, Pages: 1750-1760, ISSN: 0020-1669

Journal article

Tokmachev AM, Boggio-Pasqua M, Mendive-Tapia D, Bearpark MJ, Robb MAet al., 2010, Fluorescence of the perylene radical cation and an inaccessible D<sub>0</sub>/D<sub>1</sub> conical intersection: An MMVB, RASSCF, and TD-DFT computational study, JOURNAL OF CHEMICAL PHYSICS, Vol: 132, ISSN: 0021-9606

Journal article

Nenov A, Koelle P, Robb MA, de Vivie-Riedle Ret al., 2010, Beyond the van der Lugt/Oosterhoff Model: When the Conical Intersection Seam and the S<sub>1</sub> Minimum Energy Path Do Not Cross, JOURNAL OF ORGANIC CHEMISTRY, Vol: 75, Pages: 123-129, ISSN: 0022-3263

Journal article

Fielding HH, Robb MA, 2010, Quantum molecular dynamics and control, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 12, Pages: 15569-15569, ISSN: 1463-9076

Journal article

Nunn ADG, Minns RS, Spesyvtsev R, Bearpark MJ, Robb MA, Fielding HHet al., 2010, Ultrafast dynamics through conical intersections and intramolecular vibrational energy redistribution in styrene, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 12, Pages: 15751-15759, ISSN: 1463-9076

Journal article

Mendive-Tapia D, Lasorne B, Worth GA, Bearpark MJ, Robb MAet al., 2010, Controlling the mechanism of fulvene S<sub>1</sub>/S<sub>0</sub> decay: switching off the stepwise population transfer, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 12, Pages: 15725-15733, ISSN: 1463-9076

Journal article

Asturiol D, Lasorne B, Worth GA, Robb MA, Blancafort Let al., 2010, Exploring the sloped-to-peaked S<sub>2</sub>/S<sub>1</sub> seam of intersection of thymine with electronic structure and direct quantum dynamics calculations, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 12, Pages: 4949-4958, ISSN: 1463-9076

Journal article

Deumal M, Rawson JM, Goeta AE, Howard JAK, Copley RCB, Robb MA, Novoa JJet al., 2010, Studying the Origin of the Antiferromagnetic to Spin-Canting Transition in the β-<i>p</i>-NCC<sub>6</sub>F<sub>4</sub>CNSSN<SUP>•</SUP> Molecular Magnet, CHEMISTRY-A EUROPEAN JOURNAL, Vol: 16, Pages: 2741-2750, ISSN: 0947-6539

Journal article

Tomasello G, Bearpark MJ, Robb MA, Orlandi G, Garavelli Met al., 2010, Significance of a Zwitterionic State for Fulgide Photochromism: Implications for the Design of Mimics, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol: 49, Pages: 2913-2916, ISSN: 1433-7851

Journal article

Groenhof G, Boggio-Pasqua M, Schafer LV, Robb MAet al., 2010, Computer Simulations of Photobiological Processes: The Effect of the Protein Environment, ADVANCES IN QUANTUM CHEMISTRY, VOL 59, Vol: 59, Pages: 181-212, ISSN: 0065-3276

Journal article

Araujo M, Lasorne B, Magalhaes AL, Worth GA, Bearpark MJ, Robb MAet al., 2009, The molecular dissociation of formaldehyde at medium photoexcitation energies: A quantum chemistry and direct quantum dynamics study, JOURNAL OF CHEMICAL PHYSICS, Vol: 131, ISSN: 0021-9606

Journal article

Boggio-Pasqua M, Robb MA, Groenhof G, 2009, Hydrogen Bonding Controls Excited-State Decay of the Photoactive Yellow Protein Chromophore, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 131, Pages: 13580-+, ISSN: 0002-7863

Journal article

Asturiol D, Lasorne B, Robb MA, Blancafort Let al., 2009, Photophysics of the π,π* and n,π* States of Thymine: MS-CASPT2 Minimum-Energy Paths and CASSCF on-the-Fly Dynamics, JOURNAL OF PHYSICAL CHEMISTRY A, Vol: 113, Pages: 10211-10218, ISSN: 1089-5639

Journal article

Zachariasse KA, Druzhinin SI, Galievsky VA, Kovalenko S, Senyushkina TA, Mayer P, Noltemeyer M, Boggio-Pasqua M, Robb MAet al., 2009, Counterintuitive Absence of an Excited-State Intramolecular Charge Transfer Reaction with 2,4,6-Tricyanoanilines. Experimental and Computational Results, JOURNAL OF PHYSICAL CHEMISTRY A, Vol: 113, Pages: 2693-2710, ISSN: 1089-5639

Journal article

Tokmachev AM, Robb MA, 2009, Efficient Generation of Heisenberg Hamiltonian Matrices for VB Calculations of Potential Energy Surfaces, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol: 109, Pages: 401-413, ISSN: 0020-7608

Journal article

Blancafort L, Lasorne B, Bearpark MJ, Worth GA, Robb MAet al., 2009, Second-Order Analysis of Conical Intersections: Applications to Photochemistry and Photophysics of Organic Molecules, The Jahn-Teller Effect: Fundamentals and Implications for Physics and Chemistry, Editors: Köppel, Yarkony, Barentzen, Heidelberg, Publisher: Springer, Pages: 169-200, ISBN: 978-3-642-03431-2

Book chapter

Frisch MJ, Trucks G, schlegel HB, Scuseria GE, Robb MA, et alet al., 2009, Gaussian 09

Software

Lasorne B, Bearpark MJ, Robb MA, Worth GAet al., 2008, Controlling S<sub>1</sub>/S<sub>0</sub> Decay and the Balance between Photochemistry and Photostability in Benzene: A Direct Quantum Dynamics Study, JOURNAL OF PHYSICAL CHEMISTRY A, Vol: 112, Pages: 13017-13027, ISSN: 1089-5639

Journal article

Tokmachev AM, Boggio-Pasqua M, Bearpark MJ, Robb MAet al., 2008, Photostability via Sloped Conical Intersections: A Computational Study of the Pyrene Radical Cation, JOURNAL OF PHYSICAL CHEMISTRY A, Vol: 112, Pages: 10881-10886, ISSN: 1089-5639

Journal article

Tomasello G, Ogliaro F, Bearpark MJ, Robb MA, Garavelli Met al., 2008, Modeling the Photophysics and Photochromic Potential of 1,2-Dihydronaphthalene (DHN): A Combined CASPT2//CASSCF-Topological and MMVB-Dynamical Investigation, JOURNAL OF PHYSICAL CHEMISTRY A, Vol: 112, Pages: 10096-10107, ISSN: 1089-5639

Journal article

Jornet J, Robb MA, Deumal M, Novoa JJet al., 2008, A first-principles <i>bottom-up</i> study of the magnetic interaction mechanism in the bulk ferromagnet <i>p</i>-<i>O</i><sub>2</sub><i>N</i>-<i>C</i><sub>6</sub><i>F</i><sub>4</sub>-<i>CNSSN</i>, INORGANICA CHIMICA ACTA, Vol: 361, Pages: 3586-3592, ISSN: 0020-1693

Journal article

Araujo M, Lasorne B, Bearpark MJ, Robb MAet al., 2008, The photochemistry of formaldehyde: Internal conversion and molecular dissociation in a single step?, JOURNAL OF PHYSICAL CHEMISTRY A, Vol: 112, Pages: 7489-7491, ISSN: 1089-5639

Journal article

Groenhof G, Schaefer LV, Boggio-Pasqua M, Grubmueller H, Robb MAet al., 2008, COMP 334-Light-induced processes in biological systems: From first principles to biotechnology, 236th National Meeting of the American-Chemical-Society, Publisher: AMER CHEMICAL SOC, ISSN: 0065-7727

Conference paper

Migani A, Blancafort L, Robb MA, Debellis ADet al., 2008, An extended conical intersection seam associated with a manifold of decay paths:: Excited-state intramolecular proton transfer in <i>O</i>-hydroxybenzaldehyde, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 130, Pages: 6932-+, ISSN: 0002-7863

Journal article

Vanni S, Garavelli M, Robb MA, 2008, A new formulation of the phase change approach in the theory of conical intersections, CHEMICAL PHYSICS, Vol: 347, Pages: 46-56, ISSN: 0301-0104

Journal article

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