A Critical Overview of Current Theoretical Methods of Estimating the Energy of Intramolecular Interactions

• Published in: Molecules (Basel, Switzerland) Vol. 25; no. 23; p. 5512
• Main Author: Jabłoński, Mirosław
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI 25.11.2020; MDPI AG
• Subjects: Algorithms; Energy-Generating Resources; hydrogen bond; Hydrogen Bonding; interaction energy; intramolecular interaction; Models, Molecular; Models, Theoretical; Physical Phenomena; Review; Structure-Activity Relationship; intramolecular interaction; interaction energy; hydrogen bond

This article is probably the first such comprehensive review of theoretical methods for estimating the energy of intramolecular hydrogen bonds or other interactions that are frequently the subject of scientific research. Rather than on a plethora of numerical data, the main focus is on discussing th...