"2003"

J. Peiró-García, I. Nebot-Gil, M. Merchán.
 “An Ab Initio Study on the Mechanism of the Atmospheric Reaction: NH2 + O3 -> H2NO + O2”. ChemPhysChem,(2003) 4, 366-372.

M. Martínez-ávila, J. Peiró-García, V. M. Ramírez-Ramírez, I. Nebot-Gil. 
“Ab Initio Study on the Mechanism of the HCO + O2 -> HO2 + CO Reaction”.
Chem. Phys. Lett., 370 (2003) 313-318

J. Peiró García, V. M. Ramírez Ramírez, M. Ochando Pardo, B. El-Hadri, I. Nebot Gil.
“An Ab Initio Study on the Mechanism of the Atmospheric Reaction: H2NO + O2 -> H2O + NO2”.
J. Comp. Chem., 24 (2003) 1321-1328

J. Peiró-García, I. Nebot-Gil.
“Ab Initio Study on the Mechanism of the Atmospheric Reaction: OH + O3 -> HO2 + O2”.
ChemPhysChem, (2003) 4, 843-847.

J. Casado, T.M. Pappenfus, L.L. Miller, K.R. Mann, E. Ortí, P.M. Viruela, R. Pou-Amérigo, V. Hernández, J.T. López-Navarrete. 
"Nitro-Functionalized Oligothiophenes as a Novel Type of Electroactive Molecular Material. Spectroscopic, Electrochemical, and Computational  Study". J. Amer. Chem. Soc. (2003) 125, 2524-2534.

J. Pitarch-Ruíz, J. Sánchez-Marín y D. Maynau.
“Vertical Spectrum of the C2H2+ System. An Open Shell (SC)2-CAS-SDCI Study".
Journal of Computational Chemistry. (2003) 24, 609-617

J. Pitarch-Ruíz, J. Sánchez-Marín, A. Sánchez de Merás y D. Maynau.
 “The vertical spectrum of H2CO revisited. (SC)2-CI and CC calculations”.
 Molecular Physics. (2003) 101, <> 483-494

B. Milián, R. Pou-Amérigo, R. Viruela, E. Ortí.
" Theoretical study of the molecular structure and the stability of neutral and reduced tetracyanoethylene".
Chem. Phys. Lett., (2003) <> <> 375 , 376-382

M. Rubio, M. Merchán, R. Pou-Amérigo, E. Ortí.
" The low-lying excited states of 2,2'-bithiophene: A theoretical analysis".
 ChemPhysChem,(2003)  4, 1308-1315

Torrens, F.
" Molecular polarizabilities of model carbon nanotubes from atomic increments". 
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (2003) 225, U509-U509.

Torrens, F; Campos A; Abad,
"C. Binding of vinyl polymers to anionic model membranes".
 CELLULAR AND MOLECULAR BIOLOGY (2003) 49, 991-998.

P.M. Viruela, R. Viruela, E. Ortí, J. Casado, V. Hernández, J.T. López-Navarrete,
"Theoretical description of the Raman spectrum of a vinylene-bridged quaterthiophene oligomer"
 J. Mol. Struct. (2003) 651, 657-664.

J. Casado, T.M. Pappenfus, K.R. Mann, B. Milián, E. Ortí, P.M. Viruela, M.C. Ruiz Delgado, V. Hernández, J.T. López Navarrete,
"UV-Vis, IR, Raman and Theoretical Characterization of a Novel Quinoid Oligothiophene Molecular Material"
 J. Mol. Struct. (2003), 651, 665-673.

Wartelle C, Viruela R, Viruela PM, Sauvage FX, Salle M, Orti E, Levillain E, Le Derf F.
" First signals of electrochemically oxidized species of TTF and TTM-TTF: A study by in situ spectroelectrochemical FTIR and DFT calculations". PHYS. CHEM. CHEM. PHYS. (2003) 5,  4672-4679.