ProfessorMichaelBearpark

Robb MA, Bearpark MJ, Celani P, Bernardi F, Olivucci Met al., 2000, Theoretical modelling as a possible tool in the design of photochromic systems, 3rd International Symposium on Organic Photochromism (ISOP99), Publisher: TAYLOR & FRANCIS LTD, Pages: 31-39, ISSN: 1542-1406

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• Citations: 3

Jolibois F, Bearpark MJ, Klein S, Olivucci M, Robb MAet al., 2000, A three-state nonadiabatic model for intramolecular electronic energy transfer (IEET) in 9-anthryl-1 '-naphthylalkanes studied by molecular mechanics/valence bond dynamics, Journal of the American Chemical Society, Vol: 122, Pages: 5801-5810

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Lafuente P, Novoa JJ, Bearpark MJ, Celani P, Olivucci M, Robb MAet al., 1999, A computational study of the Dougherty model for the prediction of high-spin states in organic chemistry, THEORETICAL CHEMISTRY ACCOUNTS, Vol: 102, Pages: 309-316, ISSN: 1432-881X

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• Citations: 5

Bearpark MJ, Robb MA, Yamamoto N, 1999, A CASSCF study of the cyclopentadienyl radical: conical intersections and the Jahn-Teller effect, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, Vol: 55, Pages: 639-646, ISSN: 1386-1425

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• Citations: 41

Bearpark MJ, Celani P, Jolibois F, Olivucci M, Robb MA, Bernardi Fet al., 1999, Characterization of the indacene S₀/S₁ conical intersection:: an MMVB and CASSCF study, MOLECULAR PHYSICS, Vol: 96, Pages: 645-652, ISSN: 0026-8976

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• Citations: 20

Bearpark MJ, Celani P, Olivucci M, Robb MA, Bernardi Fet al., 1999, Characterisation of the Indacene S0/S1 Conical Intersection. An MMVB and CASSCF study, Molecular Physics, Vol: 96, Pages: 645-652

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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

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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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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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

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 MAet al., 1996, Potential energy surfaces of pseudoaromatic molecules: An MMVB and CASSCF study of pentalene, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol: 60, Pages: 505-512, ISSN: 0020-7608

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• Citations: 19

Bearpark MJ, Bernardi F, Clifford S, Olivucci M, Robb MA, Vreven Tet al., 1996, [18]Annulene: A benzene-like S-0/S-1 conical intersection located with CASSCF+GVB, MOLECULAR PHYSICS, Vol: 89, Pages: 37-46, ISSN: 0026-8976

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• Citations: 9

Clifford S, Bearpark MJ, Bernardi F, Olivucci M, Robb MA, Smith BRet al., 1996, Conical intersection pathways in the photocycloaddition of ethene and benzene: A CASSCF study with MMVB dynamics, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 118, Pages: 7353-7360, ISSN: 0002-7863

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• Citations: 49

Wilsey S, Bearpark MJ, Bernardi F, Olivucci M, Robb MAet al., 1996, The role of degenerate biradicals in the photorearrangement of acylcyclopropenes to furans, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 118, Pages: 4469-4479, ISSN: 0002-7863

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• Citations: 17

Wilsey S, Bearpark MJ, Bernardi F, Olivucci M, Robb MAet al., 1996, Mechanism of the oxadi-pi-methane and [1,3]-acyl sigmatropic rearrangements of beta,gamma-enones: A theoretical study, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 118, Pages: 176-184, ISSN: 0002-7863

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• Citations: 41

Bearpark MJ, Bernardi F, Clifford S, Olivucci M, Robb MA, Smith BR, Vreven Tet al., 1996, The azulene S-1 state decays via a conical intersection: A CASSCF study with MMVB dynamics, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 118, Pages: 169-175, ISSN: 0002-7863

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• Citations: 164

Bearpark MJ, Bernardi F, Olivucci M, Robb MAet al., 1996, Potential Energy Surfaces of Pseudo-Aromatic Molecules: an MMVB and CASSCF study of Pentalene, International Journal of Quantum Chemistry, Vol: 69, Pages: 505-512

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Clifford S, Bearpark MJ, Robb MA, 1996, A Hybrid MC-SCF Method: Generalised Valence Bond (GVB) with Complete Active Space SCF (CASSCF), Chemical Physics Letters, Vol: 255, Pages: 320-320

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Bearpark MJ, Bernardi F, Olivucci M, Robb MA, Smith BRet al., 1996, Can Fulvene S1 Decay Be Controlled? A CASSCF study with MMVB dynamics, Journal of the American Chemical Society, Vol: 118, Pages: 5254-5260

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SMITH BR, BEARPARK MJ, ROBB MA, BERNARDI F, OLIVUCCI Met al., 1995, CLASSICAL WAVEPACKET DYNAMICS THROUGH A CONICAL INTERSECTION - APPLICATION TO THE S-1/S-0 PHOTOCHEMISTRY OF BENZENE, CHEMICAL PHYSICS LETTERS, Vol: 242, Pages: 27-32, ISSN: 0009-2614

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• Citations: 101

BEARPARK MJ, OLIVUCCI M, WILSEY S, BERNARDI F, ROBB MAet al., 1995, AN MC-SCF STUDY OF STYRENE SINGLET-STATE PHOTOISOMERIZATION, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 117, Pages: 6944-6953, ISSN: 0002-7863

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• Citations: 44

BEARPARK MJ, ROBB MA, SCHLEGEL HB, 1994, A DIRECT METHOD FOR THE LOCATION OF THE LOWEST ENERGY POINT ON A POTENTIAL SURFACE CROSSING, CHEMICAL PHYSICS LETTERS, Vol: 223, Pages: 269-274, ISSN: 0009-2614

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• Citations: 601

BEARPARK MJ, ROBB MA, BERNARDI F, OLIVUCCI Met al., 1994, MOLECULAR MECHANICS VALENCE-BOND METHODS FOR LARGE ACTIVE SPACES - APPLICATION TO CONJUGATED POLYCYCLIC-HYDROCARBONS, CHEMICAL PHYSICS LETTERS, Vol: 217, Pages: 513-519, ISSN: 0009-2614

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• Citations: 78

BEARPARK MJ, HANDY NC, PALMIERI P, TARRONI Ret al., 1993, SPIN-ORBIT INTERACTIONS FROM SELF-CONSISTENT-FIELD WAVE-FUNCTIONS, MOLECULAR PHYSICS, Vol: 80, Pages: 479-502, ISSN: 0026-8976

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• Citations: 22

BEARPARK MJ, HANDY NC, 1992, ON THE OPTIMIZATION OF EXPONENTS OF D-POLARIZATION AND F-POLARIZATION FUNCTIONS FOR 1ST ROW ATOMS, THEORETICA CHIMICA ACTA, Vol: 84, Pages: 115-124, ISSN: 0040-5744

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• Citations: 5

BEARPARK MJ, HANDY NC, AMOS RD, MASLEN PEet al., 1991, SOME INVESTIGATIONS OF THE MP2-R12 METHOD, THEORETICA CHIMICA ACTA, Vol: 79, Pages: 361-372, ISSN: 0040-5744

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• Citations: 18