"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.