QTCOVI – Theoretical and Computational Chemistry
QTCOVI – Theoretical and Computational Chemistry
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J. Contreras-García
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Bases for Understanding Polymerization under Pressure: The Practical Case of CO2
Computation of Local and Global Properties of the Electron Localization Function Topology in Crystals.
Universal compressibility behaviour of ions in ionic crystals
How electron localization function quantifies and pictures chemical changes in a solid: The B3 -> B1 pressure induced phase transition in BeO
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