Professor Mike Robb, FRS

Deumal M, Novoa JJ, Bearpark MJ, Celani P, Olivucci M, Robb MAet al., 1998, On the validity of the McConnell-I model of ferromagnetic interactions: The [2.2]paracyclophane example, JOURNAL OF PHYSICAL CHEMISTRY A, Vol: 102, Pages: 8404-8412, ISSN: 1089-5639

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• Citations: 65

Deumal M, Bearpark MJ, Smith BR, Olivucci M, Bernardi F, Robb MAet al., 1998, Product distributions from molecular mechanics-valence bond dynamics: Modeling photochemical [4+4] cycloadditions, JOURNAL OF ORGANIC CHEMISTRY, Vol: 63, Pages: 4594-4600, ISSN: 0022-3263

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• Citations: 15

Yamamoto N, Olivucci M, Celani P, Bernardi F, Robb MAet al., 1998, An MC-SCF/MP2 study of the photochemistry of 2,3-diazabicyclo [2.2.1]hept-2-ene: Production and fate of diazenyl and hydrazonyl biradicals, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 120, Pages: 2391-2407, ISSN: 0002-7863

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• Citations: 59

Klein S, Bearpark MJ, Smith BR, Robb MA, Olivucci M, Bernardi Fet al., 1998, Mixed State "on the fly" Non-adiabatic Dynamics: the Role of the Conical Intersection Topology, Chemical Physics Letters, Vol: 293, Pages: 259-266

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Garavelli M, Bernardi F, Celani P, Robb MA, Olivucci Met al., 1998, Minimum energy paths in the excited and ground states of short protonated Schiff bases and of the analogous polyenes, Journal of Photochemistry and Photobiology A-Chemistry, Vol: 114, Pages: 109-116

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Deumal M, Bearpark MJ, Smith BR, Olivucci M, Bernardi F, Robb MAet al., 1998, Product Yields from MMVB Dynamics: Modelling Photochemical [4+4] Cycloadditions, Journal of Organic Chemistry, Vol: 63, Pages: 4594-4600

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Garavelli M, Olivucci M, Vreven T, Klein S, Celani P, Robb MAet al., 1998, Potential Energy surfaces for ultrafast photochemistry, Faraday Discussions, Vol: 110, Pages: 51-70

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Nau WM, Greiner G, Rau H, Olivucci M, Robb MAet al., 1998, Discrimination between hydrogen atom and proton abstraction in the quenching of n,p* singlet-excited states by protic solvents, Berichte Der Bunsen-Gesellschaft-Physical Chemistry Chemical Physics, Vol: 102, Pages: 486-492

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Nau WM, Greiner G, Wall J, Rau H, Olivucci M, Robb MAet al., 1998, The mechanism for hydrogen abstraction by n,p* excited singlet states: Evidence for thermal activation and deactivation through a conical intersection, Angewandte Chemie-International Edition in English, Vol: 37, Pages: 98-101

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Garavelli M, Vreven T, Celani P, Bernardi F, Robb MA, Olivucci Met al., 1998, Photoisomerization Path for a Realistic Retinal Chromophore Model: the Nonatetraenimminium Cation, Journal of the American Chemical Society, Vol: 120, Pages: 1285-1288

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Venturini A, Bernardi F, Olivucci M, Robb MA, Rossi Iet al., 1998, Dimerization of silaethylene: Computational evidence for a novel mechanism for the formation of 1,3-disilacyclobutane via a 1,2 approach, Journal of the American Chemical Society, Vol: 120, Pages: 1912-1913

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Bearpark MJ, Smith BR, Bernardi F, Olivucci M, Robb MAet al., 1998, The Molecular Mechanics Valence Bond Method. Electronic Structure and Semiclassical Dynamics: Applications to Problems in Photochemistry, Combined Quantum Mechanical and Molecular Mechanical Methods, Editors: Gao, Thompson, Gao, Thompson, Pages: 148-158

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Robb MA, Olivucci M, Bernardi F, 1998, Photochemistry, Encyclopedia of Computational Chemistry, Editors: Schleyer, New York, Publisher: Wiley

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Yamamoto N, Olivucci M, Celani P, Bernardi F, Robb MAet al., 1998, An MC-SCF / MP2 Study of Photochemistry of 2,3-Diazabicyclo[2.2.1]hept-2 ene, Journal of the American Chemical Society, Vol: 120, Pages: 2391-2407

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Deumal M, Novoa JJ, Bearpark MJ, Beall JC, Celani P, Olivucci M, Robb MAet al., 1998, On the validity of the McConnell-I model of ferromagnetic interactions: The [2.2]paracyclophane example, Journal of Physical Chemistry A, Vol: 102, Pages: 8404-8412

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Garavelli M, Bernardi F, Olivucci M, Robb MAet al., 1998, A DFT study of the reactions between singlet oxygen and a carotenoid model, Journal of the American Chemical Society, Vol: 120, Pages: 10210-10222

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Garavelli M, Bernardi F, Olivucci M, Robb MAet al., 1998, Potential energy surfaces for ultrafast photochemistry: Short chain polyenes and protonated Schiff bases, 11th International Conference on Ultrafast Phenomena, Publisher: SPRINGER-VERLAG BERLIN, Pages: 612-614, ISSN: 0172-6218

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Garavelli M, Bernardi F, Olivucci M, Vreven T, Klein S, Celani P, Robb MAet al., 1998, Potential-energy surfaces for ultrafast photochemistry - Static and dynamic aspects, FARADAY DISCUSSIONS, Vol: 110, Pages: 51-70, ISSN: 1359-6640

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• Citations: 132

Bearpark MJ, Bernardi F, Olivucci M, Robb MAet al., 1997, Benchmarking the molecular mechanics valence bond method: Photophysics of styrene and indene, JOURNAL OF PHYSICAL CHEMISTRY A, Vol: 101, Pages: 8395-8401, ISSN: 1089-5639

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• Citations: 40

Celani P, Bernardi F, Olivucci M, Robb MAet al., 1997, Conical intersection mechanism for photochemical ring opening in benzospiropyran compounds, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 119, Pages: 10815-10820, ISSN: 0002-7863

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• Citations: 78

Robb MA, Bearpark M, Smith BR, 1997, The MMVB method electronic structure and semi-classical dynamics: Applications to problems in photochemistry, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 214, Pages: 173-COMP, ISSN: 0065-7727

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Bearpark MJ, Bernardi F, Clifford S, Olivucci M, Robb MA, Vreven Tet al., 1997, Cooperating rings in cis-stilbene lead to an S-0/S-1 conical intersection, JOURNAL OF PHYSICAL CHEMISTRY A, Vol: 101, Pages: 3841-3847, ISSN: 1089-5639

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• Citations: 88

Garavelli M, Celani P, Fato M, Bearpark MJ, Smith BR, Olivucci M, Robb MAet al., 1997, Relaxation paths from a conical intersection: The mechanism of product formation in the cyclohexadiene/hexatriene photochemical interconversion, JOURNAL OF PHYSICAL CHEMISTRY A, Vol: 101, Pages: 2023-2032, ISSN: 1089-5639

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• Citations: 144

Bearpark MJ, Deumal M, Robb MA, Vreven T, Yamamoto N, Olivucci M, Bernardi Fet al., 1997, Modeling photochemical [4+4] cycloadditions: Conical intersections located with CASSCF for butadiene plus butadiene, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 119, Pages: 709-718, ISSN: 0002-7863

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• Citations: 32

Bearpark MJ, Bernardi F, Olivucci M, Robb MA, Clifford S, Vreven Tet al., 1997, Cooperating rings in cis-Stilbene lead to an S0/S1 conical intersection, Journal of Physical Chemistry A, Vol: 101, Pages: 3841-3847

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Garavelli M, Celani P, Bernardi F, Robb MA, Olivucci Met al., 1997, The C5H6NH2(+) Protonated Schiff Base: an Ab-initio "Minimal" Model for Retinal Photoisomerization, Journal of the American Chemical Society, Vol: 119, Pages: 6891-6901

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Garavelli M, Celani P, Fato M, Olivucci M, Robb MAet al., 1997, Relaxation Paths from a Conical Intersection: The Mechanism of Product-Formation in Cyclohexadiene/Hexatriene Photochemical Interconversion, Journal of Physical Chemistry A, Vol: 101, Pages: 2023-2032

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Bearpark MJ, Bernardi F, Olivucci M, Robb MAet al., 1997, Benchmarking MMVB: The Photophysics of Styrene and Indene, Journal of Physical Chemistry A, Vol: 101, Pages: 8395-8401

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Bernardi F, Bottoni A, Canepa C, Olivucci M, Robb MA, Tonachini Get al., 1997, MCSCF/MP2 study of the cheletropic addition of singlet and triplet CF2 and C(OH)(2) to the ethene double bond, Journal of Organic Chemistry, Vol: 62, Pages: 2018-2025

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Bernardi F, Bottoni A, Calcinari M, Rossi I, Robb MAet al., 1997, Comparison between CASPT2 and DFT in the study of Ni(C2H4)(2) complexes, Journal of Physical Chemistry A, Vol: 101, Pages: 6310-6314

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