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Critical analysis of the accuracy of models predicting or extracting liquid structure information
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Molecular dynamics simulations as a tool for understanding zeolite nanogrowth and liquid structure
(2013) -
- Journal Article
- A1
- open access
Analysis of the basis set superposition error in molecular dynamics of hydrogen-bonded liquids : application to methanol
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Introducing BSSE as an extra energy term in molecular dynamics
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UV-Raman and 29Si NMR spectroscopy investigation of the nature of silicate oligomers formed by acid catalyzed hydrolysis and polycondensation of tetramethylorthosilicate