ReviewMolecules (Basel, Switzerland)2021
Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond Energy.
Review in Molecules (Basel, Switzerland), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed.
- Backbone double-mutant cycle analysis quantifies hydrogen-bond energies in proteins.Protein science : a publication of the Protein Society · 2026Article
- Extrusion-Assisted Formation of Rice Starch-Propyl Gallate Complexes: Structural Characteristics, Antioxidant Activity, and In Vitro Digestibility.Foods (Basel, Switzerland) · 2026Article
- Probing Proximal Intramolecular Hydrogen Bonding Interactions on a Norbornane Scaffold.The journal of physical chemistry. A · 2026Article
- Orbital Interactions in Hydrogen Bonds: A Perspective From the Chemical Bond Overlap Model.Journal of computational chemistry · 2025Article
- Synergistic modification of hot-melt extrusion and nobiletin on the multi-scale structures, interactions, thermal properties, andFrontiers in nutrition · 2024Article
- Quantification of hydrogen bond energy based on equations using spectroscopic, structural, QTAIM-based, and NBO-based descriptors which calibrated by the molecular tailoring approach.Journal of molecular modeling · 2023Article
- Proton transfer between sulfonic acids and various propylamines by density functional theory calculations.Journal of molecular modeling · 2023Article
- Revealing the Reasons for Degeneration of Resonance-Assisted Hydrogen Bond on the Aromatic Platform: Calculations of Ortho-, Meta-, Para-Disubstituted Benzenes, and (Molecules (Basel, Switzerland) · 2023Article
- Dihydrogen Bonding-Seen through the Eyes of Vibrational Spectroscopy.Molecules (Basel, Switzerland) · 2022Article
- Non-Covalent Interactions in Molecular Systems: Thermodynamic Evaluation of the Hydrogen-Bond Strength in Amino-Ethers and Amino-Alcohols.Chemistry (Weinheim an der Bergstrasse, Germany) · 2022Article
- Intramolecular Hydrogen Bonding 2021.Molecules (Basel, Switzerland) · 2021Article
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2 authors.
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Abstract
Hydrogen bonds (HBs) play a crucial role in many physicochemical and biological processes. Theoretical methods can reliably estimate the intermolecular HB energies. However, the methods for the quantification of intramolecular HB (IHB) energy available in the literature are mostly empirical or indirect and limited only to evaluating the energy of a single HB. During the past decade, the authors have developed a direct procedure for the IHB energy estimation based on the molecular tailoring approach (MTA), a fragmentation method. This MTA-based method can yield a reliable estimate of individual IHB energy in a system containing multiple H-bonds. After explaining and illustrating the methodology of MTA, we present its use for the IHB energy estimation in molecules and clusters. We also discuss the use of this method by other researchers as a standard, state-of-the-art method for estimating IHB energy as well as those of other noncovalent interactions.
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