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Predicting deprotonation sites using alchemical derivatives
(American Chemical Society, 2020)
Boron avoids cycloalkane-like structures in the LinBnH2n series
(Royal Society of Chemestry, 2016)
Pauli principle and the confinement of electron pairs in a symmetric double well potential
(American Chemical Society, 2018-03-18)
Modified genetic algorithms to model cluster structures in medium-size silicon clusters
(American Physical Society, 2004)