Determination of H-Atom Positions in Organic Crystal Structures by NEXAFS Combined with Density Functional Theory: a Study of Two-Component Systems Containing Isonicotinamide. (2022)

First Author: Edwards PT
Attributed to:  A novel approach to refinement of proton positions in organic crystal structures funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jpca.2c00439

PubMed Identifier: 35537046

Publication URI: http://europepmc.org/abstract/MED/35537046

Type: Journal Article/Review

Volume: 126

Parent Publication: The journal of physical chemistry. A

Issue: 19

ISSN: 1089-5639