文章名稱引用次數

• Theoretical Insights Into the Excited State Double Proton Transfer Mechanism of Deep Red Pigment Alkannin43
• Minimally Empirical Double-Hybrid Functionals Trained against the GMTKN55 Database: revDSD-PBEP86-D revDOD-PBE-D and DOD-SCAN-D442
• Singlet Oxygen Reactivity with Carbonate Solvents Used for Li-Ion Battery Electrolytes24
• Revised M11 Exchange-Correlation Functional for Electronic Excitation Energies and Ground-State Properties24
• Exploration of Reaction Pathways and Chemical Transformation Networks22
• Methylammonium Cation Dynamics in Methylammonium Lead Halide Perovskites: A Solid-State NMR Perspective21
• Training Neural Nets To Learn Reactive Potential Energy Surfaces Using Interactive Quantum Chemistry in Virtual Reality19
• Understanding the Mechanism Stabilizing Intermediate Spin States in Fe(II)-Porphyrin18
• Visualizations of Electric and Magnetic Interactions in Electronic Circular Dichroism and Raman Optical Activity18
• Calculation of Reaction Free Energies in Solution: A Comparison of Current Approaches18