Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Restructurization and Extension of UBDB-Reference-Cited by-同舟云学术

Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Restructurization and Extension of UBDB

Published:2022-08-09 Issue:16 Volume:62 Page:3752-3765
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Jha Kunal Kumar¹^ORCID,Gruza Barbara¹^ORCID,Sypko Aleksandra¹,Kumar Prashant¹^ORCID,Chodkiewicz Michał Leszek¹^ORCID,Dominiak Paulina Maria¹^ORCID

Affiliation:

1. Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, ul. Żwirki i Wigury 101, 02-089 Warszawa, Poland

Funder

Narodowe Centrum Nauki

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00144

Reference63 articles.

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2. Lecomte, C. Advances in Molecular Structure Research; Hargittai, I., Hargittai, M., Eds. USA JAI Press Inc: Greenwich, CT, 1995; Vol. 1, pp 261–302.

3. Chapter 5. Charge densities from X-ray diffraction data

4. Testing aspherical atom refinements on small-molecule data sets

5. Atoms in molecules

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