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Predicting deprotonation sites using alchemical derivatives
(American Chemical Society, 2020)
On the density functional relationship between static dipole polarizability and global softness
(American Chemical Society, 1998)
Understanding chemical reactivity in extended systems: exploring models of chemical softness in carbon nanotubes
(Peking University Press, 2018)
Boron avoids cycloalkane-like structures in the LinBnH2n series
(Royal Society of Chemestry, 2016)