Robb MA - Search Results

1

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: robb ma. J Comput Chem. 2003 Aug;24(11):1357-63. doi: 10.1002/jcc.10278. J Comput Chem. 2003. PMID: 12827677

2

Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization.

González-Luque R, Garavelli M, Bernardi F, Merchán M, Robb MA, Olivucci M. González-Luque R, et al. Among authors: robb ma. Proc Natl Acad Sci U S A. 2000 Aug 15;97(17):9379-84. doi: 10.1073/pnas.97.17.9379. Proc Natl Acad Sci U S A. 2000. PMID: 10944211 Free PMC article.

3

Potential energy surface crossings and the mechanistic spectrum for intramolecular electron transfer in organic radical cations.

Blancafort L, Jolibois F, Olivucci M, Robb MA. Blancafort L, et al. Among authors: robb ma. J Am Chem Soc. 2001 Jan 31;123(4):722-32. doi: 10.1021/ja003359w. J Am Chem Soc. 2001. PMID: 11456586

4

MCSCF/MP2 Study of the Cheletropic Addition of Singlet and Triplet CF(2) and C(OH)(2) to the Ethene Double Bond.

Bernardi F, Bottoni A, Canepa C, Olivucci M, Robb MA, Tonachini G. Bernardi F, et al. Among authors: robb ma. J Org Chem. 1997 Apr 4;62(7):2018-2025. doi: 10.1021/jo960860r. J Org Chem. 1997. PMID: 11671505

5

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: robb ma. J Org Chem. 2001 Dec 28;66(26):8811-4. doi: 10.1021/jo015865p. J Org Chem. 2001. PMID: 11749611

6

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: robb ma. J Am Chem Soc. 2002 Feb 20;124(7):1456-70. doi: 10.1021/ja0161655. J Am Chem Soc. 2002. PMID: 11841316

7

Quenching of tryptophan (1)(pi,pi*) fluorescence induced by intramolecular hydrogen abstraction via an aborted decarboxylation mechanism.

Blancafort L, González D, Olivucci M, Robb MA. Blancafort L, et al. Among authors: robb ma. J Am Chem Soc. 2002 Jun 5;124(22):6398-406. doi: 10.1021/ja016915a. J Am Chem Soc. 2002. PMID: 12033871

8

Ultrafast decay of electronically excited singlet cytosine via a pi,pi* to n(O),pi* state switch.

Ismail N, Blancafort L, Olivucci M, Kohler B, Robb MA. Ismail N, et al. Among authors: robb ma. J Am Chem Soc. 2002 Jun 19;124(24):6818-9. doi: 10.1021/ja0258273. J Am Chem Soc. 2002. PMID: 12059190

9

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: robb ma. J Org Chem. 2002 Aug 23;67(17):6070-7. doi: 10.1021/jo026047f. J Org Chem. 2002. PMID: 12182644

10

Relationship between photoisomerization path and intersection space in a retinal chromophore model.

Migani A, Robb MA, Olivucci M. Migani A, et al. Among authors: robb ma. J Am Chem Soc. 2003 Mar 5;125(9):2804-8. doi: 10.1021/ja027352l. J Am Chem Soc. 2003. PMID: 12603170

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