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382 积分 2026-01-16 加入
Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties?
5天前
已完结
Electron transfer-mediated synergistic nonlinear optical response in the Agn@C18 (n = 4-6) complexes: A DFT study on the electronic structures and optical characteristics
5天前
已完结
Assessment of DFT Exchange-Correlation Functionals for Evaluating the Multipolar Contributions to the Quadratic Nonlinear Optical Responses of Small Reference Molecules
5天前
已完结
Hyperpolarizabilities of Push–Pull Chromophores in Solution: Interplay between Electronic and Vibrational Contributions
5天前
已关闭
Tuning aromaticity of cyclocarbons by heteroatom doping: C12S and C12N
17天前
已完结
Antiaromaticity and π-Electron Behavior of Cyclo[25]carbon Modulated by Odd-Topology Phase Frustration
17天前
已完结
Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills
20天前
已完结
Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills
21天前
已完结
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