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Title: Critical computational analysis illuminates the reductive-elimination mechanism that activates nitrogenase for N 2 reduction

Authors:
; ; ORCiD logo
Publication Date:
Grant/Contract Number:
AC05-76RL01830/FWP66476; SC0010687
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: 45; 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:
1478700

Raugei, Simone, Seefeldt, Lance C., and Hoffman, Brian M.. Critical computational analysis illuminates the reductive-elimination mechanism that activates nitrogenase for N 2 reduction. United States: N. p., Web. doi:10.1073/pnas.1810211115.
Raugei, Simone, Seefeldt, Lance C., & Hoffman, Brian M.. Critical computational analysis illuminates the reductive-elimination mechanism that activates nitrogenase for N 2 reduction. United States. doi:10.1073/pnas.1810211115.
Raugei, Simone, Seefeldt, Lance C., and Hoffman, Brian M.. 2018. "Critical computational analysis illuminates the reductive-elimination mechanism that activates nitrogenase for N 2 reduction". United States. doi:10.1073/pnas.1810211115.
@article{osti_1478700,
title = {Critical computational analysis illuminates the reductive-elimination mechanism that activates nitrogenase for N 2 reduction},
author = {Raugei, Simone and Seefeldt, Lance C. and Hoffman, Brian M.},
abstractNote = {},
doi = {10.1073/pnas.1810211115},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
number = 45,
volume = 115,
place = {United States},
year = {2018},
month = {10}
}

Works referenced in this record:

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Density?functional thermochemistry. III. The role of exact exchange
journal, April 1993
  • Becke, Axel D.
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