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Evaluation of nine condensed-phase force fields of the GROMOS, CHARMM, OPLS, AMBER, and OpenFF families against experimental cross-solvation free energies
This article builds on a previous study [Kashefolgheta et al., J. Chem. Theory. Comput., 2020, 16, 7556–7580] by extending the comparison to five additional force fields, GROMOS-54A7, GROMOS-ATB, OPLS-LBCC, AMBER-GAFF2, and OpenFF.
Date:
April 30, 2021
Creator:
Kashefolgheta, Sadra; Wang, Shuzhe; Acree, William E. (William Eugene) & Hünenberger, Philippe H.
System:
The UNT Digital Library
The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes
This article discusses the reactivity patterns of low-coordinate iron-hydride complexes. The authors report a survey of the reactivity of the first isolable iron-hydride complexes with a coordiination number less than 5.
Date:
April 30, 2008
Creator:
Yu, Ying; Sadique, Azwana R.; Smith, Jeremy M.; Dugan, Thomas R.; Cowley, Ryan E.; Brennessel, William W. et al.
System:
The UNT Digital Library