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  • Periodic Constrained Nuclear-Electronic Orbital Density Functional Theory for Nuclear Quantum Effects: Method Development and Application to Hydrogen Adsorption on Pt(111)
Title: Periodic Constrained Nuclear-Electronic Orbital Density Functional Theory for Nuclear Quantum Effects: Method Development and Application to Hydrogen Adsorption on Pt(111)
Award ID(s):
2410649 2238473
PAR ID:
10641596
Author(s) / Creator(s):
;
Publisher / Repository:
American Chemical Society
Date Published:
Journal Name:
Journal of Chemical Theory and Computation
Volume:
21
Issue:
16
ISSN:
1549-9618
Format(s):
Medium: X Size: p. 7865-7877
Size(s):
p. 7865-7877
Sponsoring Org:
National Science Foundation
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