Cutting-Edge Theoretical Studies

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

Research Articles

Unlocking Hidden Doors: The Quest for Stable Extra-Large Pore Zeolites

Discover how rational design of structure-directing agents is enabling the creation of stable extra-large pore zeolites with unprecedented catalytic potential.

Elijah Foster
Nov 13, 2025

The Hidden World of Ultra-Thin Zinc Oxide Films on Metal Surfaces

Exploring the structural and chemical transformations of zinc oxide ultrathin films on Pd(111) surfaces and their implications for catalysis.

Addison Parker
Nov 03, 2025

The Hidden Architecture of Zeolites: Mapping the Invisible to Power a Cleaner Future

Discover how recent breakthroughs in zeolite chemistry are revolutionizing renewable energy and environmental protection through atomic-level design.

Nora Murphy
Nov 02, 2025

How a Tiny Atom Transforms Molecular Machinery

Discover how halogens enable precision chemistry by acting as molecular scalpels for single-bond manipulation in Au-S bond cleavage.

Anna Long
Oct 31, 2025

Modeling Zeolites with 2D Films: A New Window on Catalysis

Explore how two-dimensional aluminosilicate films are revolutionizing our understanding of zeolite catalysis and opening new frontiers in materials science.

Lillian Cooper
Oct 31, 2025

The Silent Alchemy: How Transition Metals Transform Carbonyl Compounds

Explore how transition metal catalysts revolutionize carbonyl compound reduction in pharmaceuticals, biofuels, and fragrance industries through sustainable chemistry.

Mason Cooper
Oct 29, 2025

Lasers and Surfaces: A Revolution in Chemistry

How focused light is unlocking new molecular frontiers in laser-stimulated surface processes and heterogeneous catalysis

Owen Rogers
Oct 29, 2025

The Invisible World Where Surfaces Shape Our Lives

Explore the fascinating world of solid surfaces and solid/gas interactions that power technologies from smartphones to environmental solutions.

Allison Howard
Oct 27, 2025

Nano-Alices in Wonderland: How Ruthenium and Defective Graphene Are Revolutionizing Chemistry

Exploring the groundbreaking partnership between ruthenium nanoparticles and defective graphene creating highly efficient catalysts for chemical transformations.

Charlotte Hughes
Oct 27, 2025

The Invisible Dance: How Surface Chemistry Powers Our World

Explore the fascinating world of surface chemistry and catalysis, where atomic interactions enable sustainable technologies from catalytic converters to hydrogen fuel production.

Kennedy Cole
Oct 20, 2025

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