QTCOVI – Theoretical and Computational Chemistry
QTCOVI – Theoretical and Computational Chemistry
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Ricardo A. Mosquera
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How Electronic Excitation Can be Used to Inhibit Some Mechanisms Associated to Substituent Effects.
Revisiting the carbonyl n → π* electronic excitation through topological eyes: expanding, enriching and enhancing the chemical language using electron number distribution functions and domain averaged Fermi holes.
Beyond the molecular orbital conception of electronically excited states through the quantum theory of atoms in molecules
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