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- 2014
- Critical analysis of the accuracy of models predicting or extracting liquid structure information
- 2012
- Analysis of the basis set superposition error in molecular dynamics of hydrogen-bonded liquids: application to methanol
- 2011
- Introducing BSSE as an extra energy term in molecular dynamics
- UV-Raman and 29Si NMR spectroscopy investigation of the nature of silicate oligomers formed by acid catalyzed hydrolysis and polycondensation of tetramethylorthosilicate
- Atomic velocity projection method: a new analysis method for vibrational spectra in terms of internal coordinates for a better understanding of zeolite nanogrowth
- 2008
- MD-TRACKS: A Productive Solution for the Advanced Analysis of Molecular Dynamics and Monte Carlo simulations