DFT Study of Microsolvated [NO3·(H2O)n]− (n = 1–12) Clusters and Molecular Dynamics Simulation of Nitrate Solution
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, Utah State University, 0300 Old Main Hill, Logan, Utah 84322-0300, United States
2. Department of Computer Science, Utah State University, 0300 Old Main Hill, Logan, Utah 84322-0300, United States
Funder
Stephen Bialkowski Award in Environmental Chemistry fund
R. Gaurth Hansen Professorship fund
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c07206
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