Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Faculty Publications Article Faculty Publications -Articles Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Creator An entity primarily responsible for making the resource Sunny, Sneha Anna; Mathew, Tony; Thomas, Jisha Mary; Alzahrani, Abdullah Yahya Abdullah; Thomas, Renjith Title A name given to the resource Dominant non-covalent forces in diphenhydramine-8-chlorotheophylline supramolecular assembly Date A point or period of time associated with an event in the lifecycle of the resource 01-01-2026 Source A related resource from which the described resource is derived Modern Physics Letters B;Volume;40;Issue;4;Article No.;2550285; Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1142/S0217984925502859" target="_blank" rel="noreferrer noopener">https://doi.org/10.1142/S0217984925502859</a> <br /><br /><a href="https://www.scopus.com/pages/publications/105022797582?origin=resultslist" target="_blank" rel="noreferrer noopener">https://www.scopus.com/pages/publications/105022797582?origin=resultslist</a> Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Sunny S.A., Department of Chemistry, St. Berchmans College (Autonomous), Kerala, Changanassery, 686101, India, Centre for Theoretical and Computational Chemistry, St. Berchmans College (Autonomous), Kerala, Changanassery, 686101, India; Mathew T., Department of Chemistry, St. Stephens College, Uzhavoor, Kerala, Kottayam, 686634, India; Thomas J.M., Department of Chemistry, Christ University, Bangalore, India; Alzahrani A.Y.A., Department of Chemistry, Faculty of Science, King Khalid University, Abha, 61413, Saudi Arabia; Thomas R., Department of Chemistry, St. Berchmans College (Autonomous), Kerala, Changanassery, 686101, India, Centre for Theoretical and Computational Chemistry, St. Berchmans College (Autonomous), Kerala, Changanassery, 686101, India Description An account of the resource In this study, by applying the principles of the quantum mechanical method, we studied the molecular-level interactions present between two common drugs, namely CTP and DPH, using M062X/cc-pVDZ theory. The interactions were studied at six different sites, thus giving rise to six CTP-DPH complexes using modern computational tools. The binding energies of complexes AF were calculated, and it was shown that the complex formation is thermodynamically favorable. Natural Bond Orbital (NBO) analysis throws light on the inter- and intramolecular interactions present in the complex. To get a detailed idea of the type of interaction, along with its strength, tools such as Quantum Theory of Atoms in Molecules (QTAIM), reduced density gradient approach (NCI-RDG) and Interaction Region Indicator (IRI) were used. The QTAIM parameters, along with the NCI and IRI results, show the presence of weaker interactions such as hydrogen bonds, van der Waals interactions. Focus was also given to analyzing the decomposition of total energy into different components using LED analysis based on DLPNO-CCSD(T) level of theory. The Local Energy Decomposition (LED) analysis goes very well with the binding energy values. The results obtained show that complex F has the highest stability among all the complexes. Also, the results calculated using different methods are consistent, supporting the dominance of weak dispersive forces. Thus, this study gives valuable information related to the interactions between these two drugs, such as their biocompatibility, complexity in pharmaceutical applications. 2026 World Scientific Publishing Company. Subject The topic of the resource dimenhydrinate; drug-drug interaction; hydrogen bonding; Non-covalent interactions; van der Waals forces Publisher An entity responsible for making the resource available World Scientific Relation A related resource ISSN: 2179849; CODEN: MPLBE Language A language of the resource English Type The nature or genre of the resource Article Rights Information about rights held in and over the resource Restricted Access; Hardcopy may be available in the library Format The file format, physical medium, or dimensions of the resource online