Olivucci M - Search Results

1

Comparative Study of Uracil Excited-State Photophysics in Water and Acetonitrile via RMS-CASPT2-Driven Quantum-Classical Trajectories.

Bezabih MS, Kaliakin DS, Blanco-González A, Barneschi L, Tarnovsky AN, Olivucci M. Bezabih MS, et al. Among authors: olivucci m. J Phys Chem B. 2023 Dec 21;127(50):10871-10879. doi: 10.1021/acs.jpcb.3c06433. Epub 2023 Dec 6. J Phys Chem B. 2023. PMID: 38055701

2

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: olivucci m. J Am Chem Soc. 2002 Jun 19;124(24):6818-9. doi: 10.1021/ja0258273. J Am Chem Soc. 2002. PMID: 12059190

3

Effect of point mutations on the ultrafast photo-isomerization of Anabaena sensory rhodopsin.

Agathangelou D, Orozco-Gonzalez Y, Del Carmen Marín M, Roy PP, Brazard J, Kandori H, Jung KH, Léonard J, Buckup T, Ferré N, Olivucci M, Haacke S. Agathangelou D, et al. Among authors: olivucci m. Faraday Discuss. 2018 Apr 17;207(0):55-75. doi: 10.1039/c7fd00200a. Faraday Discuss. 2018. PMID: 29388996

4

Stereochemical memory in the temperature-dependent photodenitrogenation of bridgehead-substituted DBH-type azoalkanes: inhibition of inverted-housane formation in the diazenyl diradical through the mass effect (inertia) and steric hindrance.

Adam W, García H, Diedering M, Martí V, Olivucci M, Palomares E. Adam W, et al. Among authors: olivucci m. J Am Chem Soc. 2002 Oct 16;124(41):12192-9. doi: 10.1021/ja026321n. J Am Chem Soc. 2002. PMID: 12371859

5

Photostability versus photodegradation in the excited-state intramolecular proton transfer of nitro enamines: competing reaction paths and conical intersections.

Migani A, Bearpark MJ, Olivucci M, Robb MA. Migani A, et al. Among authors: olivucci m. J Am Chem Soc. 2007 Mar 28;129(12):3703-13. doi: 10.1021/ja066592o. Epub 2007 Mar 3. J Am Chem Soc. 2007. PMID: 17335277

6

Mechanism of the N-cyclopropylimine-1-pyrroline photorearrangement.

Sampedro D, Soldevilla A, Rodríguez MA, Campos PJ, Olivucci M. Sampedro D, et al. Among authors: olivucci m. J Am Chem Soc. 2005 Jan 12;127(1):441-8. doi: 10.1021/ja0467566. J Am Chem Soc. 2005. PMID: 15631495

7

Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model.

Zen A, Coccia E, Gozem S, Olivucci M, Guidoni L. Zen A, et al. Among authors: olivucci m. J Chem Theory Comput. 2015 Mar 10;11(3):992-1005. doi: 10.1021/ct501122z. J Chem Theory Comput. 2015. PMID: 25821414 Free PMC article.

8

Ground and excited state CASPT2 geometry optimizations of small organic molecules.

Page CS, Olivucci M. Page CS, et al. Among authors: olivucci m. J Comput Chem. 2003 Feb;24(3):298-309. doi: 10.1002/jcc.10145. J Comput Chem. 2003. PMID: 12548721

9

The ring-opening reaction of chromenes: a photochemical mode-dependent transformation.

Migani A, Gentili PL, Negri F, Olivucci M, Romani A, Favaro G, Becker RS. Migani A, et al. Among authors: olivucci m. J Phys Chem A. 2005 Oct 6;109(39):8684-92. doi: 10.1021/jp052996b. J Phys Chem A. 2005. PMID: 16834270

10

Structure of the photochemical reaction path populated via promotion of CF(2)I(2) into its first excited state.

El-Khoury PZ, Tarnovsky AN, Schapiro I, Ryazantsev MN, Olivucci M. El-Khoury PZ, et al. Among authors: olivucci m. J Phys Chem A. 2009 Oct 8;113(40):10767-71. doi: 10.1021/jp902873h. J Phys Chem A. 2009. PMID: 19711974

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