Luis Serrano-Andres

L. Serrano-Andrés was born in Baden, Switzerland, in 1966. He is presently an Associate Professor of physical chemistry at the University of Valencia, Spain. He graduated in Chemistry in 1989 and obtained his Ph.D. degree at the Department of Physical Chemistry of the University of Valencia in 1994. He was postdoctoral researcher at the Department of Theoretical Chemistry of the University of Lund, Sweden. From 1997 he was also invited and visiting researcher and lecturer in different universities and research centers, like the Universities of Sao Paulo, Brazil, Lund, Sweden, and Torun, Poland. In 2002, he got his present permanent position in his home university where he coleads the group Quantum Chemistry for the Excited State (QCEXVAL) together with Professor Manuela Merchán. In 2001, he was awarded with the Prize for Young Scientists by the Royal Chemical Society of Spain. Also in 2001 the International Society for Theoretical Chemical Physics and the Centre de Mécanique Ondulatoire Appliquée of Paris selected him for the Prize of Promising Scientist. His research interests have been focused on the chemistry of the excited state, including the development of methods and computational strategies and their applications to molecular phenomena on spectroscopy, photophysics, and photochemistry. His main expertise relies on multiconfigurational ab initio quantum chemical methods and its employment on the excited state chemistry, in particular in biomolecule. He is coauthor of the widely employed quantum chemistry program package MOLCAS. He authored or coauthored near 100 papers in international journals, as well as several important reviews and book chapters, and contributed with conferences in a large number of international meetings.

Biography Updated on 10 October 2007

Articles in Scholarly Journals [Incomplete List]

  1. About the intrinsic photochemical properties of the 11-cis retinal chromophore: computational clues for a trap state and a lever effect in Rhodopsin catalysis
    Theoretical Chemistry Accounts, vol. 118, no. 1, pp. 173–183, 2007
  2. Quantum chemical study on the population of the lowest triplet state of psoralen
    Chemical Physics Letters, vol. 434, no. 1-3, pp. 107–110, 2007
  3. On the intrinsic population of the lowest triplet state of uracil
    Chemical Physics Letters, vol. 441, no. 4-6, pp. 327–331, 2007
  4. Hydrogen Transfer vs Proton Transfer in 7-Hydroxy-quinoline·(NH3)3: A CASSCF/CASPT2 Study
    Journal of Physical Chemistry A, vol. 111, no. 26, pp. 5907–5912, 2007
  5. The Journal of Physical Chemistry B, vol. 110, no. 21, pp. 10234–10235, 2006
  6. Journal of Physical Chemistry B, vol. 110, no. 48, pp. 24734–24739, 2006
  7. Journal of Physical Chemistry A, vol. 110, no. 50, pp. 13584–13590, 2006
  8. Journal of Physical Chemistry B, vol. 110, no. 51, pp. 26471–26476, 2006
  9. Ab initio determination of the ionization potentials of DNA and RNA nucleobases
    The Journal of Chemical Physics, vol. 125, no. 8, p. 084302, 2006
  10. Adenine and 2-aminopurine: Paradigms of modern theoretical photochemistry
    Proceedings of the National Academy of Sciences, vol. 103, no. 23, pp. 8691–8696, 2006
  11. A butterfly like motion as a clue to the photophysics of thioxanthone
    Journal of Photochemistry and Photobiology A: Chemistry, vol. 179, no. 3, pp. 298–304, 2006
  12. Theoretical CASPT2 study of the excited state double proton transfer reaction in the 7-azaindole dimer
    Chemical Physics Letters, vol. 418, no. 4-6, pp. 569–575, 2006
  13. Photochemical window mechanism for controlled atom release in carborane endohedral boxes: Theoretical evidence
    Chemical Physics Letters, vol. 432, no. 1-3, pp. 235–239, 2006
  14. Is the CH2OH + O2 ? CH2 = O + HO2 Reaction Barrierless? An Ab Initio Study on the Reaction Mechanism
    Theoretical Chemistry Accounts, vol. 116, no. 4-5, pp. 637–640, 2006
  15. A Three-State Model for the Photophysics of Adenine
    Chemistry - A European Journal, vol. 12, no. 25, pp. 6559–6571, 2006
  16. A computational study of the lowest singlet and triplet states of neutral and dianionic 1,2-substituted icosahedral and octahedralo-carboranes
    Journal of Computational Chemistry, vol. 27, no. 4, pp. 524–535, 2006
  17. Theoretical electronic spectra of 2-aminopurine in vapor and in water
    International Journal of Quantum Chemistry, vol. 106, no. 13, pp. 2564–2577, 2006
  18. On the Low-Lying Excited States ofsym-Triazine-Based Herbicides
    ChemPhysChem, vol. 6, no. 2, pp. 306–314, 2005
  19. Quantum chemistry of the excited state: 2005 overview
    Journal of Molecular Structure: THEOCHEM, vol. 729, no. 1-2, pp. 99–108, 2005
  20. Journal of the American Chemical Society, vol. 127, no. 6, pp. 1820–1825, 2005
  21. 2MOLCAS as a development platform for quantum chemistry software
    International Journal of Quantum Chemistry, vol. 100, no. 4, pp. 626–635, 2004
  22. Multiconfigurational second-order perturbation study of the decomposition of the radical anion of nitromethane
    The Journal of Chemical Physics, vol. 121, no. 9, p. 4127, 2004
  23. The electronic spectra of aryl olefins: A theoretical study of phenylacetylene
    The Journal of Chemical Physics, vol. 119, no. 8, p. 4294, 2003
  24. Theoretical absorption and emission spectra of 1H- and 2H-benzotriazole
    Physical Chemistry Chemical Physics, vol. 5, no. 22, p. 5001, 2003
  25. A theoretical analysis of the excited states in 2-benzoylthiophene
    Molecular Physics, vol. 101, no. 13, pp. 1977–1982, 2003
  26. Theoretical characterization of the absorption spectra of phenanthrene and its radical cation
    Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), vol. 110, no. 3, pp. 224–232, 2003
  27. Journal of the American Chemical Society, vol. 125, no. 27, pp. 8108–8109, 2003
  28. Quasi diabatic CASSCF state functions
    Molecular Physics, vol. 100, no. 6, pp. 903–909, 2002
  29. Theoretical characterization of the lowest-energy absorption band of pyrrole
    The Journal of Chemical Physics, vol. 116, no. 17, p. 7526, 2002
  30. Electronic excited states of conjugated cyclic ketones and thioketones: A theoretical study
    The Journal of Chemical Physics, vol. 117, no. 4, p. 1649, 2002
  31. The Journal of Physical Chemistry B, vol. 105, no. 38, pp. 9323–9330, 2001
  32. The Journal of Physical Chemistry A, vol. 105, no. 42, pp. 9664–9673, 2001
  33. Theoretical studies on the spectroscopy of the 7-azaindole monomer and dimer
    International Journal of Quantum Chemistry, vol. 84, no. 2, pp. 181–191, 2001
  34. Journal of the American Chemical Society, vol. 122, no. 25, pp. 6067–6077, 2000
  35. A theoretical study of the emission spectra of indole and its analogs: indene, benzimidazole, and 7-azaindole
    Chemical Physics, vol. 262, no. 2-3, pp. 267–283, 2000
  36. A theoretical study of the absorption spectra of indole and its analogs: indene, benzimidazole, and 7-azaindole
    Chemical Physics, vol. 262, no. 2-3, pp. 253–265, 2000
  37. Static electric properties of conjugated cyclic ketones and thioketones
    The Journal of Chemical Physics, vol. 113, no. 15, p. 6235, 2000
  38. The Journal of Physical Chemistry A, vol. 104, no. 19, pp. 4374–4382, 2000
  39. The Journal of Physical Chemistry A, vol. 104, no. 7, pp. 1608–1616, 2000
  40. A theoretical study of the [sup 1]B[sub 2u] and [sup 1]B[sub 1u] vibronic bands in benzene
    The Journal of Chemical Physics, vol. 112, no. 6, p. 2798, 2000
  41. Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds?
    Molecular Physics, vol. 97, no. 7, pp. 859–868, 1999
  42. Theoretical study of the electronic spectrum of magnesium-porphyrin
    The Journal of Chemical Physics, vol. 110, no. 15, p. 7202, 1999
  43. The Journal of Physical Chemistry A, vol. 103, no. 28, pp. 5468–5476, 1999
  44. The Journal of Physical Chemistry A, vol. 103, no. 48, pp. 9864–9871, 1999
  45. Theoretical spectroscopy of organic systems
    Journal of Molecular Structure: THEOCHEM, vol. 463, no. 1-2, pp. 201–210, 1999
  46. An ab initio study of the low-lying 1A' electronic states of indene
    Journal of Molecular Structure: THEOCHEM, vol. 464, no. 1-3, pp. 121–128, 1999
  47. The multi-state CASPT2 method
    Chemical Physics Letters, vol. 288, no. 2-4, pp. 299–306, 1998
  48. Interpretation of the electronic absorption spectrum of free base porphin by using multiconfigurational second-order perturbation theory
    Chemical Physics Letters, vol. 295, no. 3, pp. 195–203, 1998
  49. Vibronic structure in triatomic molecules: The hydrocarbon flame bands of the formyl radical (HCO). A theoretical study
    The Journal of Chemical Physics, vol. 108, no. 17, p. 7202, 1998
  50. Vertical and adiabatic electronic excitations in biphenylene: A theoretical study
    The Journal of Chemical Physics, vol. 107, no. 22, p. 9464, 1997
  51. Journal of the American Chemical Society, vol. 119, no. 26, pp. 6168–6176, 1997
  52. Solvent effects on electronic spectra studied by multiconfigurational perturbation theory
    International Journal of Quantum Chemistry, vol. 65, no. 2, pp. 167–181, 1997
  53. A Theoretical Study of the Indigoid Dyes and Their Chromophore
    Chemistry - A European Journal, vol. 3, no. 5, pp. 717–725, 1997
  54. The dominant one- and two-photon excited states in the nonlinear optical response of octatetraene: ab initio versus semiempirical theoretical descriptions
    Chemical Physics Letters, vol. 279, no. 1-2, pp. 1–8, 1997
  55. Theoretical Study of the Absorption and Emission Spectra of Indole in the Gas Phase and in a Solvent
    Journal of the American Chemical Society, vol. 118, no. 1, pp. 185–195, 1996
  56. Journal of the American Chemical Society, vol. 118, no. 48, pp. 12200–12206, 1996
  57. Applications of level shift corrected perturbation theory in electronic spectroscopy
    Journal of Molecular Structure: THEOCHEM, vol. 388, no. 1-3, pp. 257–276, 1996
  58. The Journal of Physical Chemistry, vol. 100, no. 16, pp. 6484–6491, 1996
  59. Journal of the American Chemical Society, vol. 117, no. 11, pp. 3189–3204, 1995
  60. Journal of Physical Chemistry, vol. 97, no. 37, pp. 9360–9368, 1993
  61. Journal of the American Chemical Society, vol. 115, no. 14, pp. 6184–6197, 1993