Frutos LM - Search Results

1

Modeling, preparation, and characterization of a dipole moment switch driven by Z/E photoisomerization.

Melloni A, Rossi Paccani R, Donati D, Zanirato V, Sinicropi A, Parisi ML, Martin E, Ryazantsev M, Ding WJ, Frutos LM, Basosi R, Fusi S, Latterini L, Ferré N, Olivucci M. Melloni A, et al. Among authors: frutos lm. J Am Chem Soc. 2010 Jul 14;132(27):9310-9. doi: 10.1021/ja906733q. J Am Chem Soc. 2010. PMID: 20568762

2

Relationship between the excited state relaxation paths of rhodopsin and isorhodopsin.

Strambi A, Coto PB, Frutos LM, Ferré N, Olivucci M. Strambi A, et al. Among authors: frutos lm. J Am Chem Soc. 2008 Mar 19;130(11):3382-8. doi: 10.1021/ja0749082. Epub 2008 Feb 27. J Am Chem Soc. 2008. PMID: 18302369

3

The ultrafast photoisomerizations of rhodopsin and bathorhodopsin are modulated by bond length alternation and HOOP driven electronic effects.

Schapiro I, Ryazantsev MN, Frutos LM, Ferré N, Lindh R, Olivucci M. Schapiro I, et al. Among authors: frutos lm. J Am Chem Soc. 2011 Mar 16;133(10):3354-64. doi: 10.1021/ja1056196. Epub 2011 Feb 22. J Am Chem Soc. 2011. PMID: 21341699

4

Directionality of Double-Bond Photoisomerization Dynamics Induced by a Single Stereogenic Center.

Marchand G, Eng J, Schapiro I, Valentini A, Frutos LM, Pieri E, Olivucci M, Léonard J, Gindensperger E. Marchand G, et al. Among authors: frutos lm. J Phys Chem Lett. 2015 Feb 19;6(4):599-604. doi: 10.1021/jz502644h. Epub 2015 Jan 29. J Phys Chem Lett. 2015. PMID: 26262473

5

Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores.

Manathunga M, Yang X, Luk HL, Gozem S, Frutos LM, Valentini A, Ferrè N, Olivucci M. Manathunga M, et al. Among authors: frutos lm. J Chem Theory Comput. 2016 Feb 9;12(2):839-50. doi: 10.1021/acs.jctc.5b00945. Epub 2016 Jan 6. J Chem Theory Comput. 2016. PMID: 26640959

6

Cyclooctatetraene computational photo- and thermal chemistry: a reactivity model for conjugated hydrocarbons.

Garavelli M, Bernardi F, Cembran A, Castaño O, Frutos LM, Merchán M, Olivucci M. Garavelli M, et al. Among authors: frutos lm. J Am Chem Soc. 2002 Nov 20;124(46):13770-89. doi: 10.1021/ja020741v. J Am Chem Soc. 2002. PMID: 12431107

7

Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry.

Frutos LM, Andruniów T, Santoro F, Ferré N, Olivucci M. Frutos LM, et al. Proc Natl Acad Sci U S A. 2007 May 8;104(19):7764-9. doi: 10.1073/pnas.0701732104. Epub 2007 Apr 30. Proc Natl Acad Sci U S A. 2007. PMID: 17470789 Free PMC article.

8

Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection.

Gozem S, Melaccio F, Valentini A, Filatov M, Huix-Rotllant M, Ferré N, Frutos LM, Angeli C, Krylov AI, Granovsky AA, Lindh R, Olivucci M. Gozem S, et al. Among authors: frutos lm. J Chem Theory Comput. 2014 Aug 12;10(8):3074-84. doi: 10.1021/ct500154k. Epub 2014 Jun 11. J Chem Theory Comput. 2014. PMID: 26588278

9

Optomechanical Control of Quantum Yield in Trans-Cis Ultrafast Photoisomerization of a Retinal Chromophore Model.

Valentini A, Rivero D, Zapata F, García-Iriepa C, Marazzi M, Palmeiro R, Fdez Galván I, Sampedro D, Olivucci M, Frutos LM. Valentini A, et al. Among authors: frutos lm. Angew Chem Int Ed Engl. 2017 Mar 27;56(14):3842-3846. doi: 10.1002/anie.201611265. Epub 2017 Mar 2. Angew Chem Int Ed Engl. 2017. PMID: 28251753

10

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.

Aquilante F, Autschbach J, Carlson RK, Chibotaru LF, Delcey MG, De Vico L, Fdez Galván I, Ferré N, Frutos LM, Gagliardi L, Garavelli M, Giussani A, Hoyer CE, Li Manni G, Lischka H, Ma D, Malmqvist PÅ, Müller T, Nenov A, Olivucci M, Pedersen TB, Peng D, Plasser F, Pritchard B, Reiher M, Rivalta I, Schapiro I, Segarra-Martí J, Stenrup M, Truhlar DG, Ungur L, Valentini A, Vancoillie S, Veryazov V, Vysotskiy VP, Weingart O, Zapata F, Lindh R. Aquilante F, et al. Among authors: frutos lm. J Comput Chem. 2016 Feb 15;37(5):506-41. doi: 10.1002/jcc.24221. Epub 2015 Nov 12. J Comput Chem. 2016. PMID: 26561362

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