Theoretical and Computational Chemistry articles for University of Science and Technology of China (USTC), China

Time frame: 1 June 2025 - 30 May 2026

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Count: 14

Article ‘Count’ for Theoretical and Computational Chemistry.

Journal Count Share
1 0.14
Dynamics of Reconfigurable Plasmonic Metamolecules Characterized by High-Throughput Time-Resolved Circular Differential Scattering 0.14
1 1.00
Hidden Electrides in Alkali Auride Bimetallenes With Programmable Anionic Electron Lattices 1.00
1 0.33
Effect of clay minerals on methane hydrate formation: Thermodynamic and kinetic 0.33
1 0.06
Zinc isotopes equilibrium fractionation induced by α-Al2O3 surface adsorption and its implications: A density functional theory study 0.06
2 1.68
Quantitative Membrane Paramagnetic Relaxation Enhancement (mPRE) Measurements on Lipid-Anchored Proteins: Insight into Orientational Dynamics 1.00
Turing-Patterned Catalyst-Ionomer Architectures for Enhanced Mass Transport in Anion Exchange Membrane Fuel Cells 0.68
1 0.33
Tunable Cooperative Motion, Rigidity, and Glassy Dynamics in Knotted Ring Polymer Melts 0.33
1 0.32
Theoretical prediction for monitoring Jahn-Teller vibrational evolution using real-space tip-enhanced Raman imaging 0.32
1 1.00
First-principles framework for exchange interactions and red-shifted luminescence of Cr3+ ion pairs in strong crystal field environments 1.00
1 0.50
Memory Kernel Coupling Theory: Obtaining Time Correlation Function from Higher-Order Moments 0.50
1 0.38
Efficiently Laser Driven Terahertz Surface Plasmon Polaritons on Long Metal Wire 0.38
3 0.75
Reassessing DFT Rankings for Ambimodal Cycloadditions: The Impact of Accurate CCSD(T) Benchmarks and New Doubly-Hybrid Functionals 0.25
UTDA-xDH: Accurate Doublet–Doublet Excitation Energies via XYG3-Type Doubly Hybrid Density Functionals within the Unrestricted Tamm–Dancoff Approximation 0.25
Structure of Organoboron Dyes and Multiphoton Absorption: Insights from Theory 0.25

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