ReviewMolecules (Basel, Switzerland)2020
A Critical Overview of Current Theoretical Methods of Estimating the Energy of Intramolecular Interactions.
Review in Molecules (Basel, Switzerland), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 25 papers.
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Who cites it
25 citing papers in PubMed.
- Probing Proximal Intramolecular Hydrogen Bonding Interactions on a Norbornane Scaffold.The journal of physical chemistry. A · 2026Article
- Molecular Hydrogen as a Proton Donor in HH···F Hydrogen Bonds-BFChemphyschem : a European journal of chemical physics and physical chemistry · 2025Article
- Characteristics of Intermolecular Interactions between Encapsulated Molecules and the Lantern-Like Carcerand Superphanes.Molecules (Basel, Switzerland) · 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
- Bader's Topological Bond Path Does Not Necessarily Indicate Stabilizing Interaction-Proof Studies Based on the Ng@[3Molecules (Basel, Switzerland) · 2023Article
- Quantifying the Intrinsic Strength of C-H⋯O Intermolecular Interactions.Molecules (Basel, Switzerland) · 2023Article
- Elucidating the Role of Noncovalent Interactions in Favipiravir, a Drug Active against Various Human RNA Viruses; aMolecules (Basel, Switzerland) · 2023Article
- Effect of a Substituent on the Properties of Salicylaldehyde Hydrazone Derivatives.The Journal of organic chemistry · 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
- Interaction of Phospholipid, Cholesterol, Beta-Carotene, and Vitamin C Molecules in Liposome-Based Drug Delivery Systems: AnAdvances in pharmacological and pharmaceutical sciences · 2023Article
- Dihydrogen Bonding-Seen through the Eyes of Vibrational Spectroscopy.Molecules (Basel, Switzerland) · 2022Article
- Synthesis and Crystal Structure of Adamantylated 4,5,6,7-Tetrahalogeno-1Molecules (Basel, Switzerland) · 2022Article
- Intramolecular Interactions in Derivatives of Uracil Tautomers.Molecules (Basel, Switzerland) · 2022Article
- Revealing Intra- and Intermolecular Interactions Determining Physico-Chemical Features of Selected Quinolone Carboxylic Acid Derivatives.Molecules (Basel, Switzerland) · 2022Article
- Hydrogen Bonds with Fluorine in Ligand-Protein Complexes-the PDB Analysis and Energy Calculations.Molecules (Basel, Switzerland) · 2022Article
- Intramolecular Hydrogen Bonding 2021.Molecules (Basel, Switzerland) · 2021Article
- Theoretical Study of N-Heterocyclic-Carbene-ZnXMaterials (Basel, Switzerland) · 2021Article
- How Substitution Combines with Non-Covalent Interactions to Modulate 1,4-Naphthoquinone and Its Derivatives Molecular Features-Multifactor Studies.International journal of molecular sciences · 2021Article
- Crystal structures of threeActa crystallographica. Section E, Crystallographic communications · 2021Article
- Non-Covalent Forces in Naphthazarin-Cooperativity or Competition in the Light of Theoretical Approaches.International journal of molecular sciences · 2021Article
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1 author.
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Abstract
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 the theoretical rationale of each method. Additionally, attention is paid to the fact that it is very often possible to use several variants of a particular method. Both of the methods themselves and their variants often give wide ranges of the obtained estimates. Attention is drawn to the fact that the applicability of a particular method may be significantly limited by various factors that disturb the reliability of the estimation, such as considerable structural changes or new important interactions in the reference system.
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