Editorial: Quantum Mechanical/Molecular Mechanical Approaches for the Investigation of Chemical Systems – Recent Developments and Advanced Applications

Frontiers in Chemistry

Sam P. de Visser¹  Thomas S. Hofer² 

[1] School of Chemical Engineering and Analytical Science, Manchester Institute of Biotechnology, The University of Manchester, Manchester, United Kingdom;Theoretical Chemistry Division, Institute of General, Inorganic and Theoretical Chemistry, University of Innsbruck, Innsbruck, Austria;

关键词: hybrid QM/MM;    ab initio methods;    quantum chemisty;    force fields;    molecular mechanics;    quantum chemistry;   

DOI  :  10.3389/fchem.2018.00357

来源: DOAJ

【 授权许可】

Unknown