Exploring HCl–HCl interactions: QZVPP calculations, improved Lennard-Jones potential, and second virial coefficient analysis for thermodynamics and industrial applications-Reference-Cited by-同舟云学术

Exploring HCl–HCl interactions: QZVPP calculations, improved Lennard-Jones potential, and second virial coefficient analysis for thermodynamics and industrial applications

Published:2024 Issue:3 Volume:14 Page:1890-1901
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Gill Waqas Amber¹^ORCID,Aziz Muhammad Tariq²,Darwish Hany W.³,Janjua Muhammad Ramzan Saeed Ashraf²^ORCID

Affiliation:

1. Departamento de Química Física, Universidad de Valencia, Avda Dr Moliner, 50, Burjassot, E-46100, Valencia, Spain

2. Department of Chemistry, Government College University Faisalabad, Faisalabad 38000, Pakistan

3. Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451, Saudi Arabia

Abstract

More than 1800 conformations of HCl–HCl were generated through QZVPP calculations to obtain interaction energies for thermodynamics and industrial applications.

Funder

King Saud University

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/RA/D3RA04387H

Reference80 articles.

1. Highly efficient and selective separation of ammonia by deep eutectic solvents through cooperative acid-base and strong hydrogen-bond interaction

2. On the role of van der Waals interaction in chemical reactions at low temperatures

3. Exploiting the Role of Molecular Electrostatic Potential, Deformation Density, Topology, and Energetics in the Characterization of S···N and Cl···N Supramolecular Motifs in Crystalline Triazolothiadiazoles

4. ?Designer Acids?: Combined Acid Catalysis for Asymmetric Synthesis

5. Theoretical and experimental studies on the corrosion inhibition potentials of some purines for aluminum in 0.1M HCl