Latest Research in Spectroscopy and Quantum Chemical Studies

Top Research Topics in Spectroscopy and Quantum Chemical Studies

• Machine Learning in Materials Science — 16 papers
• Chemical Physics — 14 papers
• Advanced Chemical Physics Studies — 8 papers
• Spectroscopy and Quantum Chemical Studies — 6 papers
• Hydrogen Storage and Materials — 5 papers
• Materials Science — 5 papers
• Conducting polymers and applications — 5 papers
• Graphene research and applications — 4 papers
• Surface Chemistry and Catalysis — 3 papers
• Advancements in Solid Oxide Fuel Cells — 3 papers

Highest-Cited Papers

1. Non-Equilibrium Dynamics of the Time-Dependent Excitonic Coupling in Fluorescent Protein Dimers
2. Universal synthesis of high-entropy alloy nanostructures with femtosecond lasers
3. Cobalt chloride-doped chitosan/sodium alginate biopolymer composite films with enhanced optical, dielectric, and electrical properties for dielectric applications
4. Deciphering decomposition pathways in Na2CrO4-catalysed Mg(AlH4)2 and Mg(BH4)2 systems
5. Expanding crystal chemistry of anhydrous copper oxysulfates: synthesis and crystal structure of K 1.5 (Pb,Na,□) 0.5 [Cu 5 O 2 ](SO 4 ) 4
6. Bottlenecks in Hamiltonian-Adaptive Resolution Simulation Method for Modeling Interfaces
7. Correlation-Free Transition Path Sampling through Shooting Point Generation Guided by Committor Learning
8. Ab initio multichannel calculation of the Bethe surface and Compton defects for molecular hydrogen
9. Collective Ion Dynamics from Finite-Volume Fluctuations in Model Explicit-Solvent Electrolytes
10. Quantum-accurate atomistic modeling of enzyme catalysis using a machine learned potential
11. Linear-Response and State-Specific Polarizable Continuum Models Yield Different ESIPT Tautomer Geometries of Flavonoid Anions
12. An automated analytical framework for identifying reaction channels and structural evolution in multi-channel nonadiabatic dynamics: Combining dimensionality reduction, clustering, and information entropy
13. Carbon Nano-Onion-Based Sensors for Relative Humidity, Gas, and Temperature Monitoring: A Review
14. Self-Assembly Versus Surface Charge: Interfacial Response of Ionic Liquids
15. Temperature‐Modulated MEMS Gas Sensor Array Enabled by Physics‐Informed Deep Learning for Thermal‐Runaway Characteristic Gas Discrimination
16. DFT GGA based datasets for H$_2$O potential energy surfaces, permanent moment and polarizability tensors
17. Extended QM/Me: Quantum-Mechanical Explicit Solvation at Solid–Liquid Interfaces
18. Non-monotonic hydration dependence of ionic transport in atomically-thin MnO2 sheets
19. Kinetically Arrested Interfacial Polyelectrolyte Complexes Enable Ionic Rectification in Ionoelastomer Heterojunctions
20. A benchmark dataset for ground-state protonic densities and energies