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Computational and Theoretical Chemistry

Volumn 975, Issue 1-3, 2011, Pages 42-51

Intramolecular polarisable multipolar electrostatics from the machine learning method Kriging

(2) Mills, Matthew J L a Popelier, Paul L A a

a UNIVERSITY OF MANCHESTER (United Kingdom)

Author keywords

Atoms in molecules; Force field; Machine learning; Multipole moment; Polarisation; Quantum chemical topology

Indexed keywords

EID: 80855127192 PISSN: 2210271X EISSN: None Source Type: Journal
DOI: 10.1016/j.comptc.2011.04.004 Document Type: Article

Times cited : (60)

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