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Frutos Gaite, Luis Manuel

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

Publications

Mechanical Forces Alter Conical Intersections Topology

  • Rivero, D.
  • Valentini, A.
  • Fernández-González, M.A.
  • Zapata, F.
  • García-Iriepa, C.
  • Sampedro, D.
  • Palmeiro, R.
  • Frutos, L.M.
... View more Collapse

Journal of Chemical Theory and Computation (p. 3740-3745) - 2015

10.1021/acs.jctc.5b00375 View at source

  • ISSN/ISBN 1549-9618

Mechanochemical Improvement of Norbornadiene-Based Molecular Solar-Thermal Systems Performance

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

ACS Sustainable Chemistry and Engineering (p. 19496-19504) - 2019

Editor: American Chemical Society

10.1021/acssuschemeng.9b04503 View at source

  • ISSN/ISBN 2168-0485

Mechanochemical Tuning of Pyrene Absorption Spectrum Using Force Probes

  • Fernández-González, M.A.
  • Rivero, D.
  • García-Iriepa, C.
  • Sampedro, D.
  • Frutos, L.M.

Journal of Chemical Theory and Computation (p. 727-736) - 2017

10.1021/acs.jctc.6b01020 View at source

  • ISSN/ISBN 1549-9618

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

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

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

  • Aquilante, F.
  • Autschbach, J.
  • Carlson, R.K.
  • Chibotaru, L.F.
  • Delcey, M.G.
  • De Vico, L.
  • Fdez. Galván, I.
  • Ferré, N.
  • Frutos, L.M.
  • Gagliardi, L.
  • Garavelli, M.
  • Giussani, A.
  • Hoyer, C.E.
  • Li Manni, G.
  • Lischka, H.
  • Ma, D.
  • Malmqvist, P.Å.
  • Müller, T.
  • Nenov, A.
  • Olivucci, M.
  • Pedersen, T.B.
  • Peng, D.
  • Plasser, F.
  • Pritchard, B.
  • Reiher, M.
  • Rivalta, I.
  • Schapiro, I.
  • Segarra-Martí, J.
  • Stenrup, M.
  • Truhlar, D.G.
  • Ungur, L.
  • Valentini, A.
  • Vancoillie, S.
  • Veryazov, V.
  • Vysotskiy, V.P.
  • Weingart, O.
  • Zapata, F.
  • Lindh, R.
... View more Collapse

Journal of Computational Chemistry (p. 506-541) - 2016

Editor: John Wiley and Sons Inc.

10.1002/jcc.24221 View at source

  • ISSN/ISBN 1096-987X

Molecular Switching by Electron Holes

  • García-Iriepa, C.
  • Frutos, L.M.

Chem (p. 1488-1489) - 2018

Editor: Elsevier Inc

10.1016/j.chempr.2018.06.010 View at source

  • ISSN/ISBN 2451-9294

Monocyclopentadienyl and ansa-monocyclopentadienylalkoxo complexes of titanium containing the 2,2′-methylenebis(6-tert-butyl-4-methylphenoxo) ligand. Synthesis, characterization, and polymerization catalyst behavior. Molecular structure of Ti(η5-C5H5)(η2-MBMP)Cl, Ti(η5-C5Me5) (η2-MBMP)Cl

  • González-Maupoey, M.
  • Cuenca, T.
  • Frutos, L.M.
  • Castaño, O.
  • Herdtweck, E.

Organometallics (p. 2694-2704) - 2003

10.1021/om030010j View at source

  • ISSN/ISBN 0276-7333

Note on the theory of bifurcation of chemical reactions

  • Palmeiro, R.
  • Manuel Frutos, L.
  • Castaño, O.

International Journal of Quantum Chemistry (p. 422-425) - 2002

10.1002/qua.1109 View at source

  • ISSN/ISBN 0020-7608

Olefin isomerisation versus hydrozirconation: A case of a stable β-hydrogen-containing Zr-alkyl derivative

  • Petrisor, C.E.
  • Frutos, L.M.
  • Castaño, O.
  • Mosquera, M.E.G.
  • Royo, E.
  • Cuenca, T.

Dalton Transactions (p. 2670-2673) - 2008

10.1039/b803419m View at source

  • ISSN/ISBN 1477-9226

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