Frutos Gaite, Luis Manuel

Publications

Ab initio based exploration of the potential energy surface for the double proton transfer in the first excited singlet electronic state of the 7-azaindole dimer

  • Moreno, M.
  • Douhal, A.
  • Lluch, J.M.
  • Castaño, O.
  • Frutos, L.M.

Journal of Physical Chemistry A (p. 3887-3893) - 2001

Editor: American Chemical Society

10.1021/jp003797p View at source

  • ISSN/ISBN 1089-5639

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.
... View more Collapse

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

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

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

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