Computational study on the interactions of functionalized C24NC (NC=C, –OH, –NH2, –COOH, and B) with chloroethylphenylbutanoic acid

BE Inah, H Louis, I Benjamin… - Canadian Journal of …, 2022 - cdnsciencepub.com
Computational chemistry approach based on density functional theory (DFT) was utilized to
investigate the interaction, adsorption behaviour, electronic and structural properties of …

Study of non-covalent interactions present in the tapinarof–ethanol system with special emphasis on hydrogen-bonding interactions

JM Thomas, R Thomas - The Journal of Physical Chemistry B, 2023 - ACS Publications
In this study, the effect of non-covalent interaction in the tapinarof–EtOH systems is
evaluated, particularly the hydrogen-bonding interaction using density functional theory in a …

Density, viscosity, refractive index and molecular interaction of polyethylene glycol 400+ 1, 3-propanediamine deep eutectic solvent for CO2 capture

Z Zhao, Y Dong, X Liu, X Qin, J Wu, J Zhang… - Journal of Molecular …, 2022 - Elsevier
A new deep eutectic solvent (DES) was obtained using polyethylene glycol 400 (PEG400)
as the H bond donor (HBD) and 1, 3-propanediamine (PDA) as the H bond acceptor (HBA) …

Experimental and theoretical evaluation of interactions in liquid mixtures consisting bio-based solvent and 2-alkoxyethanols through viscometric study

P Devi, P Rani, N Kumar, J Kataria - Journal of Molecular Liquids, 2023 - Elsevier
Viscometric properties provide a deep and meaningful insight of the various interactions
taking place in binary liquid mixtures. Recently, bio-based solvents have been either …

Design strategy of polyamine for CO2 absorption guided by a novel descriptor of hydrogen bond strength

W Fu, K Yu, H Song, K Zhang, W Yang - Fuel, 2024 - Elsevier
Mixed amine solutions have been proposed as a promising method for improving the
efficiency of CO 2 adsorption. However, the process of experimentally screening the …

Excess Properties and Intermolecular Interaction of Three Butanol Isomers+ 1, 2-Propanediamine Binary Systems

E Wang, X Wang, L Chai, Y Wang… - Journal of Chemical & …, 2024 - ACS Publications
To investigate intermolecular interactions between three different structures of butanol (n-
butanol, 2-butanol, or iso-butanol) and 1, 2-propanediamine (1, 2-PDA), the density (ρ) and …

Exploring structural effect on the non-covalent interactions in binary mixtures of amines with cyclic ethers

NM Nasrullah, V Karthikeyan, N Gopalakrishnan… - Next Research, 2024 - Elsevier
Extensive experimental and DFT computational investigations have been carried out on four
binary liquid mixtures containing structurally different, industrially important aliphatic and …

[PDF][PDF] Acoustical Studies on Heterocyclic Drugs In 1, 4-Dioxane at 303.15 K

S Kolhe, D Patil, A Sonar, J Nehete - Indian Journal of Science and …, 2022 - academia.edu
Objective: Main objective is to study the solute solvent interactions in different heterocyclic
drugs with the help of various acoustic properties. Method: The values of ultrasonic velocity …