Elangannan Arunan

11PUBLICATIONS
13CO-AUTHORS
Theory and design of materialsReaction kinetics and dynamicsContaminant hydrologyMetal organic frameworksNonlinear optics and spectroscopy
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Publications (11)

|Sep 15, 2026
Proton-transfer dictated supramolecular hydrogen bonded architecture in cytosine with substituted carboxylic acid coformers: Experimental and theoretical investigation by density functional approximations, DLPNO-CCSD(T)-F12, and G0W0 calculations.

|Apr 17, 2026
ChemXDyn: Dynamics-Informed Species and Reaction Detection Methodology from Atomistic Simulations.

|Jan 09, 2026
The Long and Short Radii for Hydrogen in Hydrogen Bonded Complexes.

Abhishek Shahi, Elangannan Arunan

|Sep 10, 2025
Microwave Spectroscopy and Structure of the 1-Fluoronaphthalene···H2O Complex: Two Hydrogen Bonds Make the Complex a Rigid Rotor.

Surabhi Gupta, Charlotte N Cummings, Nicholas R Walker

|Jul 10, 2024
Microwave spectroscopic and computational analyses of the phenylacetylene⋯methanol complex: insights into intermolecular interactions.

Surabhi Gupta, Charlotte N Cummings, Nicholas R Walker

|Jul 12, 2023
Unified classification of non-covalent bonds formed by main group elements: a bridge to chemical bonding.

Arijit Das, Elangannan Arunan

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Frequent Collaborators

3 joint publications

Nicholas R Walker

2 joint publications

Arijit Das

2 joint publications

Surabhi Gupta

2 joint publications

Charlotte N Cummings