Weighted Averaging Scheme and Local Atomic Descriptor for pK

Yu, Haoyu S

Weighted Averaging Scheme and Local Atomic Descriptor for pK [electronic resource] - Journal of chemical information and modeling 02 2018 - 271-286 p. digital

Publication Type: Journal Article

1549-960X

10.1021/acs.jcim.7b00537 doi


Density Functional Theory
Models, Chemical
Molecular Structure
Protons
Thermodynamics
Workflow