QTAIM-Based Comparison of Agostic Bonds and Intramolecular Charge-Inverted Hydrogen Bonds
Author:
Affiliation:
1. Department of Quantum Chemistry, Faculty of Chemistry, Nicolaus Copernicus University in Toruń, 7-Gagarina St., PL-87 100 Toruń, Poland
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.5b02041
Reference58 articles.
1. Charge-inverted hydrogen bond vs. other interactions possessing a hydridic hydrogen atom
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3. Intramolecular charge-inverted hydrogen bond
4. Full vs. constrain geometry optimization in the open–closed method in estimating the energy of intramolecular charge-inverted hydrogen bonds
5. Theoretical insight into the nature of the intermolecular charge-inverted hydrogen bond
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