Bearpark MJ - Search Results

1

Theoretical study of the photochemical [2 + 2]-cycloadditions of cyclic and acyclic alpha,beta-unsaturated carbonyl compounds to ethylene.

García-Expósito E, Bearpark MJ, Ortuño RM, Robb MA, Branchadell V. García-Expósito E, et al. Among authors: bearpark mj. J Org Chem. 2002 Aug 23;67(17):6070-7. doi: 10.1021/jo026047f. J Org Chem. 2002. PMID: 12182644

2

The T(1) (3)(pi-pi*)/S(0) intersections and triplet lifetimes of cyclic alpha,beta-enones.

García-Expósito E, Bearpark MJ, Ortuño RM, Branchadell V, Robb MA, Wilsey S. García-Expósito E, et al. Among authors: bearpark mj. J Org Chem. 2001 Dec 28;66(26):8811-4. doi: 10.1021/jo015865p. J Org Chem. 2001. PMID: 11749611

3

Dihydroazulene/vinylheptafulvene photochromism: a model for one-way photochemistry via a conical intersection.

Boggio-Pasqua M, Bearpark MJ, Hunt PA, Robb MA. Boggio-Pasqua M, et al. Among authors: bearpark mj. J Am Chem Soc. 2002 Feb 20;124(7):1456-70. doi: 10.1021/ja0161655. J Am Chem Soc. 2002. PMID: 11841316

4

A simple approach for improving the hybrid MMVB force field: application to the photoisomerization of s-cis butadiene.

Garavelli M, Ruggeri F, Ogliaro F, Bearpark MJ, Bernardi F, Olivucci M, Robb MA. Garavelli M, et al. Among authors: bearpark mj. J Comput Chem. 2003 Aug;24(11):1357-63. doi: 10.1002/jcc.10278. J Comput Chem. 2003. PMID: 12827677

5

A computational strategy for geometry optimization of ionic and covalent excited states, applied to butadiene and hexatriene.

Boggio-Pasqua M, Bearpark MJ, Klene M, Robb MA. Boggio-Pasqua M, et al. Among authors: bearpark mj. J Chem Phys. 2004 May 1;120(17):7849-60. doi: 10.1063/1.1690756. J Chem Phys. 2004. PMID: 15267700

6

The mechanism of magnetic interactions in the bulk ferromagnet para-(methylthio)phenyl nitronyl nitroxide (YUJNEW): a first principles, bottom-up, theoretical study.

Deumal M, Bearpark MJ, Robb MA, Pontillon Y, Novoa JJ. Deumal M, et al. Among authors: bearpark mj. Chemistry. 2004 Dec 3;10(24):6422-32. doi: 10.1002/chem.200400493. Chemistry. 2004. PMID: 15532054

7

The curvature of the conical intersection seam: an approximate second-order analysis.

Paterson MJ, Bearpark MJ, Robb MA, Blancafort L. Paterson MJ, et al. Among authors: bearpark mj. J Chem Phys. 2004 Dec 15;121(23):11562-71. doi: 10.1063/1.1813436. J Chem Phys. 2004. PMID: 15634121

8

Direct versus mediated through-space magnetic interactions: A first principles, bottom-up reinvestigation of the magnetism of the pyridyl-verdazyl:hydroquinone molecular co-crystal.

Jornet J, Deumal M, Ribas-Ariño J, Bearpark MJ, Robb MA, Hicks RG, Novoa JJ. Jornet J, et al. Among authors: bearpark mj. Chemistry. 2006 May 15;12(15):3995-4005. doi: 10.1002/chem.200501182. Chemistry. 2006. PMID: 16534822

9

Photostability via a sloped conical intersection: a CASSCF and RASSCF study of pyracylene.

Boggio-Pasqua M, Robb MA, Bearpark MJ. Boggio-Pasqua M, et al. Among authors: bearpark mj. J Phys Chem A. 2005 Oct 6;109(39):8849-56. doi: 10.1021/jp053354r. J Phys Chem A. 2005. PMID: 16834288

10

Photochemical reactivity of 2-vinylbiphenyl and 2-vinyl-1,3-terphenyl: the balance between nonadiabatic and adiabatic photocyclization.

Boggio-Pasqua M, Bearpark MJ, Ogliaro F, Robb MA. Boggio-Pasqua M, et al. Among authors: bearpark mj. J Am Chem Soc. 2006 Aug 16;128(32):10533-40. doi: 10.1021/ja062901z. J Am Chem Soc. 2006. PMID: 16895421

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