Publicaciones (51) Publicaciones de CARMEN PIQUERAS GARCIA

2012

  1. Measured and calculated oxidation potentials of 1-X-12-Y-CB 11Me 10 - anions

    Inorganic Chemistry, Vol. 51, Núm. 9, pp. 5128-5137

2011

  1. A theoretical study of semiclassic models: Toward a quantum mechanical representation of chemical processes

    International Journal of Quantum Chemistry, Vol. 111, Núm. 2, pp. 263-271

2008

  1. GridQTC: A desktop client for the computational chemistry grid infrastructure

    Proceedings - The 2nd International Conference on Advanced Engineering Computing and Applications in Sciences, ADVCOMP 2008

  2. Interpretation of the electronic spectra of four disilanes

    Journal of Physical Chemistry A, Vol. 112, Núm. 50, pp. 13095-13101

  3. Molecular Inorganic Silicon Chemistry: Electronic Excitation in Decamethyl-n-tetrasilane

    Organosilicon Chemistry VI: From Molecules to Materials (Wiley-VCH Verlag GmbH), pp. 348-354

2006

  1. MS-CASPT2 analysis of the UV thermochromism of octamethyltrisilane

    Molecular Physics, Vol. 104, Núm. 5-7, pp. 1107-1112

2004

  1. Fulvenes, fulvalenes, and azulene: Are they aromatic chameleons?

    Journal of the American Chemical Society, Vol. 126, Núm. 43, pp. 13938-13939

2001

  1. Thermochemical analysis of the OH + C2H4→ C2H4OH reaction using accurate theoretical methods

    Journal of Molecular Structure: THEOCHEM, Vol. 537, Núm. 1, pp. 199-212

2000

  1. Identification of novel small molecule ligands that bind to tetanus toxin

    Chemical Research in Toxicology, Vol. 13, Núm. 5, pp. 356-362

1997

  1. An ab initio analysis of the electronic structure and harmonic frequencies of nickel porphyrin

    Theoretical Chemistry Accounts, Vol. 97, Núm. 1-4, pp. 81-87