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Title: Revised M06 density functional for main-group and transition-metal chemistry

Journal Article · · Proceedings of the National Academy of Sciences of the United States of America
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Not Available

Research Organization:
Univ. of Minnesota, Minneapolis, MN (United States). Nanoporous Materials Genome Center; University of Minnesota, Minneapolis, MN (United States)
Sponsoring Organization:
USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division; USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)
Grant/Contract Number:
SC0008688; SC0015997
OSTI ID:
1471772
Journal Information:
Proceedings of the National Academy of Sciences of the United States of America, Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Issue: 41 Vol. 115; ISSN 0027-8424
Publisher:
National Academy of Sciences, Washington, DC (United States)Copyright Statement
Country of Publication:
United States
Language:
English

References (38)

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Theoretical DFT study of homonuclear and binary transition-metal dimers journal January 2015
Assessment of DFT Methods for Computing Activation Energies of Mo/W-Mediated Reactions journal September 2015
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Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes journal March 2018
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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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