Efficient Parallel Implementations of QM/MM-REMD (QuantumMechanical/Molecular Mechanics-Replica-Exchange MD) and Umbrella Sampling:Isomerization of H2O2in Aqueous Solution.

Details

Language :

English

ISSN :

15206106

Volume :

117

Issue :

26

Database :

Supplemental Index

Journal :

Journal of Physical Chemistry B

Publication Type :

Academic Journal

Accession number :

88918686

Full Text :

https://doi.org/10.1021/jp4029529