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QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics (2019)

First Author: Cole D

Attributed to: Application of large-scale quantum mechanical simulation to the development of future drug therapies funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.26434/chemrxiv.7247045

Publication URI: http://dx.doi.org/10.26434/chemrxiv.7247045

Type: Preprint