Conformational equilibrium study of calix[4]tetrolarenes using Density Functional Theory (DFT) and Molecular Dynamics simulations
Author:
Affiliation:
1. School of Chemical Sciences, Central University of Gujarat, Gandhinagar, India
2. Centre for Applied Chemistry, Central University of Gujarat, Gandhinagar, India
3. Department of Chemistry, KSR College Sarairanjan, Samastipur, India
Funder
DST INSPIRE-SRF
Science and Engineering Research Board
Publisher
Informa UK Limited
Subject
General Chemistry
Link
https://www.tandfonline.com/doi/pdf/10.1080/10610278.2018.1517876
Reference37 articles.
1. Calix[n]imidazolium as a new class of positively charged homo-calix compounds
2. para-Bridged Symmetrical Pillar[5]arenes: Their Lewis Acid Catalyzed Synthesis and Host–Guest Property
3. Calix[4, 5]tetrolarenes: A New Family of Macrocycles
4. Investigation of structural and conformational equilibrium of Oxacalix[4]arene: A density functional theory approach
5. Supramolecular Self-Assembly of M-IDA Complexes Involving Lone-Pair···π Interactions: Crystal Structures, Hirshfeld Surface Analysis, and DFT Calculations [H2IDA = iminodiacetic acid, M = Cu(II), Ni(II)]
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