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Frutos Gaite, Luis Manuel

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

Publications

Hydantoin-based molecular photoswitches

  • Martínez-López, D.
  • Yu, M.-L.
  • García-Iriepa, C.
  • Campos, P.J.
  • Frutos, L.M.
  • Golen, J.A.
  • Rasapalli, S.
  • Sampedro, D.
... View more Collapse

Journal of Organic Chemistry (p. 3929-3939) - 2015

10.1021/acs.joc.5b00244 View at source

  • ISSN/ISBN 0022-3263

Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties

  • García-Iriepa, C.
  • Ernst, H.A.
  • Liang, Y.
  • Unterreiner, A.-N.
  • Frutos, L.M.
  • Sampedro, D.

Journal of Organic Chemistry (p. 6292-6302) - 2016

10.1021/acs.joc.6b00892 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. 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

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

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

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

Role of bifurcation in the bond shifting of cyclooctatetraene

  • Castaño, O.
  • Palmeiro, R.
  • Frutos, L.M.
  • Luisandrés, J.

Journal of Computational Chemistry (p. 732-736) - 2002

10.1002/jcc.10013 View at source

  • ISSN/ISBN 0192-8651

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

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

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

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