Comparing B3LYP and B97 Dispersion‐corrected Functionals for Studying Adsorption and Vibrational Spectra in Nitrogen Reduction-Reference-Cited by-同舟云学术

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Comparing B3LYP and B97 Dispersion‐corrected Functionals for Studying Adsorption and Vibrational Spectra in Nitrogen Reduction

Published:2021-01-12 Issue:3 Volume:10 Page:316-326
ISSN:2191-1363
Container-title:ChemistryOpen
language:en
Short-container-title:ChemistryOpen

Author:

Grossman Esther F.¹^ORCID,Daramola Damilola A.²^ORCID,Botte Gerardine G.³^ORCID

Affiliation:

1. Department of Physics and Astronomy Center for Electrochemical Engineering Research Ohio University Athens OH 45701 USA

2. Department of Chemical and Biomolecular Engineering Ohio University Athens OH 45701 USA

3. Department of Chemical Engineering Texas Tech University Lubbock TX 79409 USA

Publisher

Wiley

Subject

General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/open.202000158

Reference56 articles.

1. Ammonia synthesis using a stable electride as an electron donor and reversible hydrogen store

2. Reduction of dinitrogen

3. New Insights into the Biological and Synthetic Fixation of Nitrogen

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