Frutos Gaite, Luis Manuel
Publications
- Articles 65
- Books 0
- Book chapters 0
- Conferences 4
- Working papers 0
- Technical reports 0
- Research projects 0
- Supervised theses 0
- Patent or software license 0
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
The role of the intersection space in the photochemistry of tricyclo[3.3.0.02,6]octa-3,7-diene
- Frutos, L.M.
- Sancho, U.
- Garavelli, M.
- Olivucci, M.
- Castaño, O.
Journal of Physical Chemistry A (p. 2830-2838) - 2007
10.1021/jp067590t View at source
- ISSN/ISBN 1089-5639
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
The valence isomerization of cyclooctatetraene to semibullvalene
- Castaño, O.
- Frutos, L.-M.
- Palmeiro, R.
- Notario, R.
- Andrés, J.-L.
- Gomperts, R.
- Blancafort, L.
- Robb, M.A.
Angewandte Chemie - International Edition (p. 2095-2097) - 2000
10.1002/1521-3773(20000616)39:12<2095::aid-anie2095>3.0.co;2-l View at source
- ISSN/ISBN 1433-7851
Theoretical determination of the singlet → singlet and singlet → triplet electronic spectra, lowest ionization potentials, and electron affinity of cyclooctatetraene
- Frutos, L.-M.
- Castaño, O.
- Merchán, M.
Journal of Physical Chemistry A (p. 5472-5478) - 2003
10.1021/jp030193n View at source
- ISSN/ISBN 1089-5639
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
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
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.
Inorganic Chemistry (p. 9620-9630) - 2011
10.1021/ic2013599 View at source
- ISSN/ISBN 0020-1669
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
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
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.
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