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This content will become publicly available on April 9, 2019

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

Authors:
; ; ; ORCiD logo ; ORCiD logo
Publication Date:
Grant/Contract Number:
SC0015997; 2016YFA0501700
Type:
Published Article
Journal Name:
Proceedings of the National Academy of Sciences of the United States of America
Additional Journal Information:
Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 115 Journal Issue: 41; Journal ID: ISSN 0027-8424
Publisher:
Proceedings of the National Academy of Sciences
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1471772

Wang, Ying, Verma, Pragya, Jin, Xinsheng, Truhlar, Donald G., and He, Xiao. Revised M06 density functional for main-group and transition-metal chemistry. United States: N. p., Web. doi:10.1073/pnas.1810421115.
Wang, Ying, Verma, Pragya, Jin, Xinsheng, Truhlar, Donald G., & He, Xiao. Revised M06 density functional for main-group and transition-metal chemistry. United States. doi:10.1073/pnas.1810421115.
Wang, Ying, Verma, Pragya, Jin, Xinsheng, Truhlar, Donald G., and He, Xiao. 2018. "Revised M06 density functional for main-group and transition-metal chemistry". United States. doi:10.1073/pnas.1810421115.
@article{osti_1471772,
title = {Revised M06 density functional for main-group and transition-metal chemistry},
author = {Wang, Ying and Verma, Pragya and Jin, Xinsheng and Truhlar, Donald G. and He, Xiao},
abstractNote = {},
doi = {10.1073/pnas.1810421115},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
number = 41,
volume = 115,
place = {United States},
year = {2018},
month = {9}
}

Works referenced in this record:

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Density?functional thermochemistry. III. The role of exact exchange
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A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
journal, November 2006
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  • DOI: 10.1063/1.2370993

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965