Cutting-Edge Theoretical Studies

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

Research Articles

Cracking Nature's Code: The Mathematical Quest to Predict Ytterbium Capture in Zinc Oxide Nanostructures

Explore how EHPM and BPES mathematical methods solve nonlinear equations in ytterbium adsorption processes using zinc oxide nanostructures for environmental applications.

Allison Howard
Oct 28, 2025

Seeing the Invisible: How Scientists Decode Acetylene's Dance on Nano-MgO Surfaces

Explore how solid-state NMR and theoretical modeling reveal the molecular interactions between acetylene and nano-sized magnesium oxide surfaces.

Hannah Simmons
Oct 20, 2025

The Invisible Dance: How Molecules Meet Surfaces and Change Our World

Explore the quantum world of molecule-surface interactions, from fundamental concepts to cutting-edge experiments and real-world applications.

Logan Murphy
Aug 23, 2025

The Silent Dance of Molecules: How Zeolite HY Traps CO₂ in a Humid World

Exploring how zeolite HY captures CO₂ in humid conditions through binary adsorption equilibrium, with implications for carbon capture technology.

Benjamin Bennett
Aug 12, 2025

The Invisible Landscape: How Surface Imperfections Revolutionize Science and Technology

Exploring how surface heterogeneity drives innovations in clean energy, pollution control, and medical technology through the lens of ISSHAC-10 symposium findings.

Natalie Ross
Aug 12, 2025

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