Toward universal substituent constants Transferability of group descriptors from the quantum theory of atoms in molecules

par Lefrancois-Gagnon, Kevin M
Publié dans: Journal of computational chemistry (2022)

Toward universal substituent constants Model chemistry sensitivity of descriptors from the quantum theory of atoms in molecules

par Lefrancois-Gagnon, Kevin M
Publié dans: Journal of computational chemistry (2020)

Isothiirane A Molecular Structure Dilemma Resolved

par Maley, Steven M
Publié dans: Journal of computational chemistry (2019)

NMR quantum computing applying theoretical methods to designing enhanced systems

par Mawhinney, Robert C
Publié dans: Magnetic resonance in chemistry : MRC (2004)