Publications

Title Yearsort descending
A Tutorial on Density Functional Theory 2003
In-Situ Generated Three Component Ruthenium-Based Catalyst for ROMP 2003
octopus: a first-principles tool for excited electron-ion dynamics 2003
Mass provisioning to different-sex eggs within the laying sequence: consequences for adjustment of reproductive effort in a sexually dimorphic bird. 2003
Structural and thermodynamic basis of resistance to HIV-1 protease inhibition: Implications for inhibitor design 2003
New Two Component Catalytic System for ROMP of Cycloolefins: Ruthenium(methallyl)2(diphosphine) / Imidazolinium Salt 2003
Aliphatic Organolithiums by Fluorine-Lithium Exchange: n-Octillithium 2003
How FMN binds to Anabæna apoflavodoxin: a hydrophobic encounter at an open binding site 2003
Control region mtDNA variants: longevity, climatic adaptation, and a forensic conundrum. 2003
Synthesis and Structural Characterization of Ba(LnIII2/3BVI1/3)O3 (LnIII = Dy, Gd and Sm; BVI = Mo or W) Complex Perovskites 2003
Novel use of a genetic algorithm for protein structure prediction: searching template and sequence alignment space 2003
In silico Protein Recombination: enhancing template and sequence alignment selection for comparative protein modelling 2003
Primary Alkyl Fluorides as Regioselective Alkylating Reagents of Lithium Arene Dianions. Easy Predicting of Regioselectivity by MO Calculations on the Dianion 2003
The near-infrared properties of the host galaxies of radio quasars 2003
Natural selection shaped regional mtDNA variation in humans. 2003
Cofactor processing in galactose oxidase. 2003
Gold glyconanoparticles: Synthetic polyvalent ligands mimicking glycocalyx-like surfaces as tools for glycobiological studies 2003
On the Dichotomy of the SN2/ET Reaction Pathways: an Apparent SN2 Reactivity in the Reaction of Naphthalene Dianion with Alkyl Fluorides 2003
New evidence on magnetic-martensitic transitions in the giant magnetocaloric compounds Tb5(SixGe1-x)4 2003
Patterns of genetic diversity in related taxa of Antirrhinum L. assessed using allozymes. 2003

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