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Toward universal substituent constants: Transferability of group descriptors from the quantum theory of atoms in molecules.
Kevin M. Lefrancois-Gagnon
Robert C. Mawhinney
Published in:
J. Comput. Chem. (2022)
Keyphrases
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quantum mechanics
quantum computing
theoretical framework
logic programs
general theory
linear combination
shape descriptors
theoretical basis
probability ranking principle
information systems
decision making
case study
formal theory
propositional theories