Reliability of HF/IQA, B3LYP/IQA, and MP2/IQA data in interpreting the nature and strength of interactions

Cukrowski, Ignacy

We are excited to announce that the repository will soon undergo an upgrade, featuring a new look and feel along with several enhanced features to improve your experience. Please be on the lookout for further updates and announcements regarding the launch date. We appreciate your support and look forward to unveiling the improved platform soon.

Show simple item record

dc.contributor.author	Cukrowski, Ignacy
dc.date.accessioned	2019-10-04T11:07:56Z
dc.date.available	2019-10-04T11:07:56Z
dc.date.issued	2019-02
dc.description.abstract	Please read abstract in the article.	en_ZA
dc.description.department	Chemistry	en_ZA
dc.description.librarian	hj2019	en_ZA
dc.description.sponsorship	The National Research Foundation of South Africa (Grant Number 105855).	en_ZA
dc.description.uri	http://www.rsc.org/journals-books-databases/about-journals/PCCP	en_ZA
dc.identifier.citation	Cukrowski, I. 2019, 'Reliability of HF/IQA, B3LYP/IQA, and MP2/IQA data in interpreting the nature and strength of interactions', Physical Chemistry Chemical Physics, vol. 21, no. 20, pp.10244-10260.	en_ZA
dc.identifier.issn	1463-9076 (print)
dc.identifier.issn	1463-9084 (online)
dc.identifier.other	10.1039/C9CP00243J
dc.identifier.uri	http://hdl.handle.net/2263/71574
dc.language.iso	en	en_ZA
dc.publisher	Royal Society of Chemistry	en_ZA
dc.rights	© the Owner Societies 2019	en_ZA
dc.subject	Interacting quantum atoms (IQA)	en_ZA
dc.subject	HF	en_ZA
dc.subject	B3LYP	en_ZA
dc.subject	MP2	en_ZA
dc.subject	Fragment attributed molecular system energy change (FAMSEC)	en_ZA
dc.subject	AIMAll	en_ZA
dc.subject	Interactions	en_ZA
dc.title	Reliability of HF/IQA, B3LYP/IQA, and MP2/IQA data in interpreting the nature and strength of interactions	en_ZA
dc.type	Postprint Article	en_ZA