Publications

Title Yearsort ascending
Excited states dynamics in time-dependent density functional theory 2004
Calculation of the optical spectrum of the Ti8 C12 and V8 C12 Met-Cars 2004
Identification of novel inhibitors of the SARS associated coronavirus main protease 3CLpro 2004
A structural and thermodynamic scape mechanism from a drug resistant mutation of the HIV-1 protease 2004
The impact of soil organisms on soil functioning under Neotropical pastures. A case study of a native anecic earthworm species 2004
Propagators for the time- dependent Kohn-Sham equations 2004
Dew points of binary carbon dioxide + water and ternary carbon dioxide + water + methanol mixtures: Measurement and Modelling. 2004
Unusual hydrogen bonds in [AH3–H3O]+radical dot radical cations (A = C, Si, Ge, Sn and Pb): Single-electron hydrogen bond, proton-hydride hydrogen bond and formation of [H2AOH2]+radical dot–H2 complexes 2004
Chemical ordering in magnetic Fe Pd∕ Pd (001) epitaxial thin films induced by annealing 2004
Membership of NAFTA: A Viable Alternative for UK Agro-Food Producers? 2004
Soil macrofaunal communities in permanent pastures derived from tropical forest or savanna 2004
Thermodynamic Properties of Synthetic Natural Gases. 5. Dew Point Curves of Synthetic Natural Gases and Their Mixtures with Water and with Water and Methanol: Measurement and Correlation. 2004
Allenylidene-Ruthenium Complexes as Versatile Precatalysts for Alkene Metathesis Reactions 2004
EELS measurements in single wall Boron Nitride nanotubes 2004
Dew points of quaternary methane + carbon dioxide + water +methanol mixtures. Measurement and correlation. 2004
Thermodynamic rules for the design of high affinity HIV-1 protease inhibitors with adaptability to mutations and high selectivity towards unwanted targets 2004
Excited states properties of nanostructures and biomolecules through time dependent density functional theory 2004
Probing electronic states in nanotubes and related-nanoparticles at the nanometer scale 2004
Integral field spectroscopy of SN 2002er with PMAS 2003
Synthesis and Structural Characterization of Ba(LnIII2/3BVI1/3)O3 (LnIII = Dy, Gd and Sm; BVI = Mo or W) Complex Perovskites 2003

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