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Frutos Gaite, Luis Manuel

Química Analítica,Quím.Física e Ing.Quím / Universidad de Alcalá

Publications

Photosensitized Retinal Isomerization in Rhodopsin Mediated by a Triplet State

  • Valentini, A.
  • Nucci, M.
  • Frutos, L.M.
  • Marazzi, M.

ChemPhotoChem (p. 925-932) - 2019

Editor: Wiley-VCH Verlag

10.1002/cptc.201900067 View at source

  • ISSN/ISBN 2367-0932

Photostability mechanisms in human γb-crystallin: Role of the tyrosine corner unveiled by quantum mechanics and hybrid quantum mechanics/molecular mechanics methodologies

  • Marazzi, M.
  • Navizet, I.
  • Lindh, R.
  • Frutos, L.M.

Journal of Chemical Theory and Computation (p. 1351-1359) - 2012

10.1021/ct300114w View at source

  • ISSN/ISBN 1549-9618

Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores

  • Manathunga, M.
  • Yang, X.
  • Luk, H.L.
  • Gozem, S.
  • Frutos, L.M.
  • Valentini, A.
  • Ferrè, N.
  • Olivucci, M.
... View more Collapse

Journal of Chemical Theory and Computation (p. 839-850) - 2016

Editor: American Chemical Society

10.1021/acs.jctc.5b00945 View at source

  • ISSN/ISBN 1549-9626

Regioselective synthesis of 1,2- And l,3-Di(silylamido)cyclopentadienyl zirconium complexes

  • Sudupe, M.
  • Cano, J.
  • Royo, P.
  • Mosquera, M.E.G.
  • Frutos, L.M.
  • Castaño, O.

Organometallics (p. 263-268) - 2010

10.1021/om9009087 View at source

  • ISSN/ISBN 0276-7333

Relationship between the excited state relaxation paths of rhodopsin and isorhodopsin

  • Strambi, A.
  • Coto, P.B.
  • Frutos, L.M.
  • Ferré, N.
  • Olivucci, M.

Journal of the American Chemical Society (p. 3382-3388) - 2008

10.1021/ja0749082 View at source

  • ISSN/ISBN 0002-7863

Role of bifurcation in the bond shifting of cyclooctatetraene

  • Castaño, O.
  • Palmeiro, R.
  • Frutos, L.M.
  • Luisandrés, J.

Journal of Computational Chemistry (p. 732-736) - 2002

10.1002/jcc.10013 View at source

  • ISSN/ISBN 0192-8651

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, L.M.
  • Angeli, C.
  • Krylov, A.I.
  • Granovsky, A.A.
  • Lindh, R.
  • Olivucci, M.
... View more Collapse

Journal of Chemical Theory and Computation (p. 3074-3084) - 2014

Editor: American Chemical Society

10.1021/ct500154k View at source

  • ISSN/ISBN 1549-9626

Structural substituent effect in the excitation energy of a chromophore: Quantitative determination and application to S-nitrosothiols

  • Fernández-González, M.A.
  • Marazzi, M.
  • López-Delgado, A.
  • Zapata, F.
  • García-Iriepa, C.
  • Rivero, D.
  • Castaño, O.
  • Temprado, M.
  • Frutos, L.M.
... View more Collapse

Journal of Chemical Theory and Computation (p. 3293-3302) - 2012

10.1021/ct300597u View at source

  • ISSN/ISBN 1549-9618

Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties

  • García-Iriepa, C.
  • Ernst, H.A.
  • Liang, Y.
  • Unterreiner, A.-N.
  • Frutos, L.M.
  • Sampedro, D.

Journal of Organic Chemistry (p. 6292-6302) - 2016

10.1021/acs.joc.6b00892 View at source

  • ISSN/ISBN 0022-3263

Synthesis, Optical Properties, and Regioselective Functionalization of 4a-Aza-10a-boraphenanthrene

  • Abengózar, A.
  • García-García, P.
  • Sucunza, D.
  • Frutos, L.M.
  • Castano, O.
  • Sampedro, D.
  • Pérez-Redondo, A.
  • Vaquero, J.J.
... View more Collapse

Organic Letters (p. 3458-3461) - 2017

10.1021/acs.orglett.7b01435 View at source

  • ISSN/ISBN 1523-7060

This researcher has no books.

This researcher has no book chapters.

Efecto de la radiación ultravioleta sobre proteínas: un estudio computacional

  • M. Marazzi
  • U. Sancho
  • Obis Dionisio Castaño González
  • Luis Manuel Frutos Gaite

Terceras Jornadas de Jóvenes Investigadores de la Universidad de Alcalá (p. 319-328) - 2011

Editor: Editorial Universidad de Alcalá

  • ISSN/ISBN 978-84-8138-925-8

First principles study of photostability within hydrogen-bonded amino acids

  • Marazzi, M.
  • Sancho, U.
  • Castaño, O.
  • Frutos, L.M.

Physical Chemistry Chemical Physics (p. 7805-7811) - 2011

10.1039/c0cp02554b View at source

  • ISSN/ISBN 1463-9076

New computational approaches in the study of nonvertical triplet energy transfer

  • Frutos, L.M.
  • Acuña, A.U.
  • Castaño, O.

AIP Conference Proceedings (p. 623-626) - 2007

10.1063/1.2836160 View at source

  • ISSN/ISBN 0094-243X

The role of intersection space segments in photochemical reactions

  • Castaño, O.
  • Sancho, U.
  • Garavelli, M.
  • Olivucci, M.
  • Frutos, L.M.

AIP Conference Proceedings (p. 594-597) - 2007

10.1063/1.2836151 View at source

  • ISSN/ISBN 0094-243X

This researcher has no working papers.

This researcher has no technical reports.

This researcher has no research projects.

This researcher has no supervised thesis.

This researcher has no patents or software licenses.

Last data update: 9/21/23 1:32 PM