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Title: INAQS, a Generic Interface for Nonadiabatic QM/MM Dynamics: Design, Implementation, and Validation for GROMACS/Q-CHEM simulations
Award ID(s):
2102071
NSF-PAR ID:
10346956
Author(s) / Creator(s):
; ; ; ; ;
Date Published:
Journal Name:
Journal of Chemical Theory and Computation
ISSN:
1549-9618
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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