QTCOVI – Theoretical and Computational Chemistry
QTCOVI – Theoretical and Computational Chemistry
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Jesús Jara-Cortés
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Local spin of atoms in molecules: relation to electron localization and delocalization
Implementation of the interacting quantum atom energy decomposition using the CASPT2 method
Chemical Bonding in Excited States: Electron Localization, Delocalization and Statistics in Real Space
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