Cutting-Edge Theoretical Studies

Dive into peer-reviewed articles on DFT simulations, reaction mechanisms, and ab initio calculations shaping modern chemical science.

Research Articles

The Molecular Tango: A Journey into Chemisorption and Physisorption Wells

Explore the microscopic world of adsorption pathways through chemisorption and physisorption wells. Discover how molecules interact with surfaces in this engaging scientific article.

Violet Simmons
Nov 01, 2025

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