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Frutos Gaite, Luis Manuel

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

Publications

On the mechanism of the photocyclization of azadienes

  • Marazzi, M.
  • Blanco-Lomas, M.
  • Rodríguez, M.A.
  • Campos, P.J.
  • Castaño, O.
  • Sampedro, D.
  • Frutos, L.M.
... View more Collapse

Tetrahedron (p. 730-736) - 2012

10.1016/j.tet.2011.10.101 View at source

  • ISSN/ISBN 0040-4020

OpenMolcas: From Source Code to Insight

  • Fdez. Galván, I.
  • Vacher, M.
  • Alavi, A.
  • Angeli, C.
  • Aquilante, F.
  • Autschbach, J.
  • Bao, J.J.
  • Bokarev, S.I.
  • Bogdanov, N.A.
  • Carlson, R.K.
  • Chibotaru, L.F.
  • Creutzberg, J.
  • Dattani, N.
  • Delcey, M.G.
  • Dong, S.S.
  • Dreuw, A.
  • Freitag, L.
  • Frutos, L.M.
  • Gagliardi, L.
  • Gendron, F.
  • Giussani, A.
  • González, L.
  • Grell, G.
  • Guo, M.
  • Hoyer, C.E.
  • Johansson, M.
  • Keller, S.
  • Knecht, S.
  • Kovačević, G.
  • Källman, E.
  • Li Manni, G.
  • Lundberg, M.
  • Ma, Y.
  • Mai, S.
  • Malhado, J.P.
  • Malmqvist, P.Å.
  • Marquetand, P.
  • Mewes, S.A.
  • Norell, J.
  • Olivucci, M.
  • Oppel, M.
  • Phung, Q.M.
  • Pierloot, K.
  • Plasser, F.
  • Reiher, M.
  • Sand, A.M.
  • Schapiro, I.
  • Sharma, P.
  • Stein, C.J.
  • Sørensen, L.K.
  • Truhlar, D.G.
  • Ugandi, M.
  • Ungur, L.
  • Valentini, A.
  • Vancoillie, S.
  • Veryazov, V.
  • Weser, O.
  • Wesołowski, T.A.
  • Widmark, P.-O.
  • Wouters, S.
  • Zech, A.
  • Zobel, J.P.
  • Lindh, R.
... View more Collapse

Journal of Chemical Theory and Computation (p. 5925-5964) - 2019

Editor: American Chemical Society

10.1021/acs.jctc.9b00532 View at source

  • ISSN/ISBN 1549-9626

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, L.M.
... View more Collapse

Angewandte Chemie International (p. 3842-3846) - 2017

10.1002/anie.201611265 View at source

  • ISSN/ISBN 1433-7851

Organic thermochemistry at high ab initio levels. 1. A G2(MP2) and G2 study of cyclic saturated and unsaturated hydrocarbons (including aromatics)

  • Notario, R.
  • Castaño, O.
  • Abboud, J.-L.M.
  • Gomperts, R.
  • Frutos, L.M.
  • Palmeiro, R.

Journal of Organic Chemistry (p. 9011-9014) - 1999

10.1021/jo990898e View at source

  • ISSN/ISBN 0022-3263

Organic thermochemistry at high ab initio levels. 2. Meeting the challenge: Standard heats of formation of gaseous norbornane, 2-norbornene, 2,5-norbornadiene, cubane, and adamantane at the G2 level

  • Castaño, O.
  • Notario, R.
  • Abboud, J.-L.M.
  • Gomperts, R.
  • Palmeiro, R.
  • Frutos, L.-M.

Journal of Organic Chemistry (p. 9015-9018) - 1999

10.1021/jo9908997 View at source

  • ISSN/ISBN 0022-3263

Organic thermochemistry at high ab initio levels. 3. A G3 study of cyclic saturated and unsaturated hydrocarbons (including aromatics)

  • Notario, R.
  • Castaño, O.
  • Gomperts, R.
  • Frutos, L.M.
  • Palmeiro, R.

Journal of Organic Chemistry (p. 4298-4302) - 2000

10.1021/jo000089r View at source

  • ISSN/ISBN 0022-3263

Photochemistry of hydrogen-bonded aromatic pairs: Quantum dynamical calculations for the pyrrole-pyridine complex

  • Lan, Z.
  • Frutos, L.M.
  • Sobolewski, A.L.
  • Domcke, W.

Proceedings of the National Academy of Sciences of the United States of America (p. 12707-12712) - 2008

10.1073/pnas.0801062105 View at source

  • ISSN/ISBN 0027-8424

Photoinduced electron and proton transfer in the hydrogen-bonded pyridine - Pyrrole system

  • Frutos, L.M.
  • Markmann, A.
  • Sobolewski, A.L.
  • Domcke, W.

Journal of Physical Chemistry B (p. 6110-6112) - 2007

Editor: American Chemical Society

10.1021/jp0729361 View at source

  • ISSN/ISBN 1520-6106

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

Photoreactivity Control Mediated by Molecular Force Probes in Stilbene

  • García-Iriepa, C.
  • Sampedro, D.
  • Mendicuti, F.
  • Léonard, J.
  • Frutos, L.M.

Journal of Physical Chemistry Letters (p. 1063-1067) - 2019

Editor: American Chemical Society

10.1021/acs.jpclett.8b03802 View at source

  • ISSN/ISBN 1948-7185

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