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Frutos Gaite, Luis Manuel

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

Publications

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

Tuning molecular excitation energy with external forces

  • Rivero, D.
  • Fernández-González, M.T.
  • Frutos, L.M.

Computational and Theoretical Chemistry (p. 106-111) - 2014

Editor: Elsevier

10.1016/j.comptc.2014.04.004 View at source

  • ISSN/ISBN 2210-271X

Triplet versus singlet photoreaction mechanism in the barrelene di-π-methane rearrangement

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

Organic Letters (p. 1229-1231) - 2004

10.1021/ol049977p View at source

  • ISSN/ISBN 1523-7060

Trapping unstable terminal Ta-O multiple bonds of monocyclopentadienyl tantalum complexes with a lewis acid

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

Organometallics (p. 2004-2007) - 2005

10.1021/om049012+ View at source

  • ISSN/ISBN 0276-7333

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

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

  • Frutos, L.M.
  • Andruniów, T.
  • Santoro, F.
  • Ferré, N.
  • Olivucci, M.

Proceedings of the National Academy of Sciences of the United States of America (p. 7764-7769) - 2007

10.1073/pnas.0701732104 View at source

  • ISSN/ISBN 0027-8424

Toward an optomechanical control of photoswitches by tuning their spectroscopical properties: Structural and dynamical insights into Azobenzene

  • Zapata, F.
  • Fernández-González, M.A.
  • Rivero, D.
  • Álvarez, A.
  • Marazzi, M.
  • Frutos, L.M.

Journal of Chemical Theory and Computation (p. 312-323) - 2014

10.1021/ct4007629 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

Thermal and Mechanochemical Tuning of the Porphyrin Singlet-Triplet Gap for Selective Energy Transfer Processes: A Molecular Dynamics Approach

  • Zapata, F.
  • Nucci, M.
  • Castaño, O.
  • Marazzi, M.
  • Frutos, L.M.

Journal of Chemical Theory and Computation (p. 5429-5439) - 2021

Editor: American Chemical Society

10.1021/acs.jctc.1c00291 View at source

  • ISSN/ISBN 1549-9626

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.

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

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

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