Climbing Jacob’s Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions-Reference-Cited by-同舟云学术

Climbing Jacob’s Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions

Published:2020-12-28 Issue:1 Volume:12 Page:463-471
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Wieduwilt Erna K.¹^ORCID,Macetti Giovanni¹^ORCID,Genoni Alessandro¹^ORCID

Affiliation:

1. Université de Lorraine & CNRS, Laboratoire de Physique et Chimie Théoriques (LPCT), UMR CNRS 7019, 1 Boulevard Arago, F-57078 Metz, France

Funder

Agence Nationale de la Recherche

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.0c03421

Reference75 articles.

1. Materials for Hydrogen Storage: Past, Present, and Future

Cited by 25 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Current developments and trends in quantum crystallography;Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials;2024-06-18

2. Wave functions consistent with experimental x-ray diffraction data: A hircocervus becomes reality;Chemical Physics Reviews;2024-06-01

3. Encoding ordered structural complexity to covalent organic frameworks;Nature Communications;2024-03-18

4. Novel jellyfish-shaped resorcin[4]arene macrocyclic cocrystal via collaboration of macrocyclic chemistry and co-crystal engineering: Insight into structural, noncovalent interactions and computational chemistry;Journal of Molecular Structure;2024-02

5. Classical Molecular Dynamics Simulation of Molecular Crystals and Materials: Old Lessons and New Perspectives;Comprehensive Computational Chemistry;2024