📣 Help Shape the Future of UKRI's Gateway to Research (GtR)

We're improving UKRI's Gateway to Research and are seeking your input! If you would be interested in being interviewed about the improvements we're making and to have your say about how we can make GtR more user-friendly, impactful, and effective for the Research and Innovation community, please email gateway@ukri.org.

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