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Frutos Gaite, Luis Manuel

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

Publications

Modulating nitric oxide release by S-nitrosothiol photocleavage: Mechanism and substituent effects

  • Marazzi, M.
  • López-Delgado, A.
  • Fernández-González, M.A.
  • Castaño, O.
  • Frutos, L.M.
  • Temprado, M.

Journal of Physical Chemistry A (p. 7039-7049) - 2012

10.1021/jp304707n View at source

  • ISSN/ISBN 1089-5639

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

Thermodynamic, kinetic, and mechanistic study of oxygen atom transfer from mesityl nitrile oxide to phosphines and to a terminal metal phosphido complex

  • Cai, X.
  • Majumdar, S.
  • Fortman, G.C.
  • Frutos, L.M.
  • Temprado, M.
  • Clough, C.R.
  • Cummins, C.C.
  • Germain, M.E.
  • Palluccio, T.
  • Rybak-Akimova, E.V.
  • Captain, B.
  • Hoff, C.D.
... View more Collapse

Inorganic Chemistry (p. 9620-9630) - 2011

10.1021/ic2013599 View at source

  • ISSN/ISBN 0020-1669

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

  • Schapiro, I.
  • Ryazantsev, M.N.
  • Frutos, L.M.
  • Ferré, N.
  • Lindh, R.
  • Olivucci, M.

Journal of the American Chemical Society (p. 3354-3364) - 2011

10.1021/ja1056196 View at source

  • ISSN/ISBN 0002-7863

Unusual approach to 3-aryl-2-aminopyridines through a radical mechanism: Synthesis and theoretical rationale from quantum mechanical calculations

  • Camacho-Artacho, M.
  • Abet, V.
  • Frutos, L.M.
  • Gago, F.
  • Alvarez-Builla, J.
  • Burgos, C.

Journal of Organic Chemistry (p. 1452-1455) - 2011

10.1021/jo102122h View at source

  • ISSN/ISBN 0022-3263

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

  • Melloni, A.
  • Paccani, R.R.
  • Donati, D.
  • Zanirato, V.
  • Sinicropi, A.
  • Parisi, M.L.
  • Martin, E.
  • Ryazantsev, M.
  • Ding, W.J.
  • Frutos, L.M.
  • Basosi, R.
  • Fusi, S.
  • Latterini, L.
  • Ferre, N.
  • Olivucci, M.
... View more Collapse

Journal of the American Chemical Society (p. 9310-9319) - 2010

Editor: American Chemical Society

10.1021/ja906733q View at source

  • ISSN/ISBN 1520-5126

Photoinduced proton transfer as a possible mechanism for highly efficient excited-state deactivation in proteins

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

Journal of Physical Chemistry Letters (p. 425-428) - 2010

10.1021/jz900262w View at source

  • ISSN/ISBN 1948-7185

Trapping unstable terminal M-O multiple bonds of monocyclopentadienyl niobium and tantalum complexes with Lewis acids

  • Sánchez-Nieves, J.
  • Frutos, L.M.
  • Royo, P.
  • Castaño, O.
  • Herdtweck, E.
  • Mosquera, M.E.G.

Inorganic Chemistry (p. 10642-10648) - 2010

10.1021/ic1016609 View at source

  • ISSN/ISBN 0020-1669

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

Theoretical study on the mechanism and regioselectivity of the macromolecular substitution reactions of [npc12]m with bifunctional nucleophiles by a combination of quantum mechanical and molecular dynamics calculations

  • Frutos, L.M.
  • Carriedo, G.A.
  • Pilar Tarazona, M.
  • Saiz, E.

Macromolecules (p. 8769-8773) - 2009

10.1021/ma9015938 View at source

  • ISSN/ISBN 0024-9297

This researcher has no books.

This researcher has no book chapters.

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

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

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

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

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