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26 积分 2023-08-29 加入
Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules
8小时前
已完结
Computing Excited States of Very Large Systems with Range-Separated Hybrid Functionals and the Exact Integral Simplified Time-Dependent Density Functional Theory (XsTD-DFT)
28天前
已完结
The eXact integral simplified time-dependent density functional theory (XsTD-DFT)
28天前
已完结
Self-consistent molecular orbital methods. XVIII. Constraints and stability in Hartree–Fock theory
1个月前
已完结
Convergent Protocols for Computing Protein–Ligand Interaction Energies Using Fragment-Based Quantum Chemistry
1个月前
已完结
Biomolecular Structure Information from High-Speed Quantum Mechanical Electronic Spectra Calculation
1个月前
已完结
Sibling rivalry: intrinsic luminescence from two xanthene dye monoanions, resorufin and fluorescein, provides evidence for excited-state proton transfer in the latter
1个月前
已完结
Unraveling the Mechanism for Tuning the Fluorescence of Fluorescein Derivatives: The Role of the Conical Intersection and nπ* State
1个月前
已完结
Fluorescence image-guided tumour surgery
1个月前
已完结
Hybrid Small-Molecule/Protein Fluorescent Probes
1个月前
已完结
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