Research Articles
Quantum Chemistry in Moldova: How a Small Nation Shaped a Science for 50 Years
Explore Moldova's 50-year journey in quantum chemistry research, focusing on the Jahn-Teller Effect and its global scientific impact.
Chasing Charged Molecules: How Quantum Chemistry Predicts Pollution's Fate in Water
Explore how quantum chemistry and oxidation potentials help predict the fate of environmental contaminants in water systems through computational methods.
Just How Ab Initio is Ab Initio Quantum Chemistry? The Quest to Compute Reality from First Principles
Exploring the reality behind ab initio quantum chemistry - how truly first-principles are these calculations in practice?
The Shape-Shifting Molecules: How Quantum Chemistry and Chemometrics Reveal Nature's Hidden Architecture
Explore how quantum chemistry and chemometrics revolutionize conformational analysis to predict molecular behavior and design better pharmaceuticals.
The Hidden Harmony: How Error Cancellation Powers Quantum Chemistry
Exploring how discretization error cancellation enables accurate quantum chemistry calculations despite computational limitations.
The Quantum Dance of Elements: How Germanium and Quinone Revolutionize Polymer Science
Explore the quantum chemical mechanism behind the spontaneous oxidation-reduction copolymerization between germylene and quinone, revealing a fascinating biradical process.
The Molecular Dance: How the F + HD Reaction Reveals Quantum Secrets
Explore the fascinating quantum dynamics of the F + HD chemical reaction and how it reveals fundamental principles of molecular interactions.
Quantum Chemistry Unveils the Hidden World of Surface Segregation in Metal Alloys
Explore how quantum chemistry reveals atomic rearrangement in metal alloys through surface segregation, its driving forces, research methods, and future applications.
The Quantum Leap: Mapping Hydrogen's Hidden Dance with Unprecedented Precision
Breakthrough quantum algorithm achieves chemical accuracy in mapping hydrogen's potential energy curve using adaptive circuits and explicit correlation.
The Silent War: How Quantum Chemistry Arms Steel Against Fungal Invaders
Exploring how quantum chemistry helps design organic compounds to protect steel from fungal corrosion through advanced computational modeling.