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Title: Hybrid Quantum Mechanics/Molecular Mechanics Solvation Scheme for Computing Free Energies of Reactions at Metal–Water Interfaces

Authors:
;
Publication Date:
OSTI Identifier:
1250384
Grant/Contract Number:
SC0007167
Type:
Published Article
Journal Name:
Journal of Chemical Theory and Computation
Additional Journal Information:
Journal Volume: 10; Journal Issue: 8; Related Information: CHORUS Timestamp: 2016-09-01 11:17:06; Journal ID: ISSN 1549-9618
Publisher:
American Chemical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English