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Frutos Gaite, Luis Manuel

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

Publications

Design of Improved Molecular Solar-Thermal Systems by Mechanochemistry: The Case of Azobenzene

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

Advanced Sustainable Systems - 2022

Editor: John Wiley and Sons Inc

10.1002/adsu.202200097 View at source

  • ISSN/ISBN 2366-7486

Mechanical Activation of Forbidden Photoreactivity in Oxa-di-π-methane Rearrangement

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

Journal of Organic Chemistry (p. 12586-12595) - 2022

Editor: American Chemical Society

10.1021/acs.joc.2c00720 View at source

  • ISSN/ISBN 1520-6904

The concept of substituent-induced force in the rationale of substituent effect

  • Fernández-González, M.Á.
  • Frutos, L.M.

Journal of Chemical Physics - 2021

Editor: American Institute of Physics Inc.

10.1063/5.0052836 View at source

  • ISSN/ISBN 1089-7690

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

How mechanical forces can modulate the metal affinity and selectivity of metal binding sites in proteins

  • Dudev, T.
  • Frutos, L.M.
  • Castaño, O.

Metallomics (p. 363-370) - 2020

Editor: Royal Society of Chemistry

10.1039/c9mt00283a View at source

  • ISSN/ISBN 1756-591X

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

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

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

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

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

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