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您的足迹: • 缺陷碳纳米管的杨氏模量 • Force Field：经典力场、构像搜索、机器学习势 • Si(100)表面重构：用QuantumATK进行几何结构优化 • 案例：使用ReaxFF计算锂硫电池中的锂离子扩散系数 • BAND结果中如何读取PDOS信息 • logfile报错：ERROR DETECTED: Fragments cannot be assigned by a simple translation! • 关于ADF与G*的计算精度比较 • 【入门基础教程】ReaxFF-燃烧：甲烷燃烧过程模拟 • 案例：环氧聚合物的力学性质（应力、杨氏模量、屈服点、泊松比） • 非线性光学/双光子吸收[目录]
adf:nonlinearopt

这是本文档旧的修订版！

目录

非线性光学/双光子吸收[目录]

代表性文章

  1. 双光子激发深红/近红外有机共晶(Nat. Comm. 2020)

其他

  1. 四极双噻吩和环戊二噻吩作为荧光氧光敏剂的线性和非线性光学性质(Photochem 2023)
  2. How structural factors determine linear and non-linear optical properties of fluorene-containing quadrupolar fluorophores? A theoretical answer(New Journal of Chemistry 2022)
  3. Quantum Chemical Modeling, Synthesis, Spectroscopic (FT-IR, Excited States, UV/Vis) Studies, FMO, QTAIM, NBO and NLO Analyses of Two New Azo Derivatives(Journal of Molecular Structure 2021)
  4. 双极性和四极性寡噻吩为核心的发色团衍生物的双光子吸收：含末端二甲基冰片基部分的理论（DFT）结构性质研究(New J. Chem. 2021)
  5. Prediction of NLO Response of Substituted Organoimido Hexamolybedate: First Theoretical Framework Based on p-Anisidine Adduct [$Mo_6O_{18}(p-MeOC_6H_4N)]^{2-}$
  6. Third and Fifth Order Nonlinear Optical Response of a TICT/Stilbene Hybrid Chromophore (J. Phys. Chem. C 2020)
  7. DFT study of two-photon absorption of octupolar molecules(Theoretical Chemistry Accounts, 2019)
  8. Importance of double-resonance effects in two-photon absorption properties of $Au_{25}(SR)18^−$ (Chem. Sci. 2017)
  9. An Interesting Behavior and Nonlinear Optical (NLO) Response of Hexamolybdate Metal Cluster: Theoretical Insight into Electro-Optic Modulation of Hybrid Composites (Journal of Cluster Science 2017)
  10. Application of discrete solvent reaction field to second-order susceptibility of organic molecular crystal (Theoretical Chemistry Accounts 2016)
  11. Simulating Third-Order Nonlinear Optical Properties Using Damped Cubic Response Theory within Time-Dependent Density Functional Theory (J. Chem. Theory Comput. 2016)
  12. Luminescent cyclometallated Ir(iii) and Pt(ii) complexes with β-diketonate ligands as highly active second-order NLOchromophores (Chemical Communications 2015)
  13. 【国内课题组】A DFT study on NLO response of push-pull hybrid porphyrin-polyoxometalate complexes (Russian Journal of Physical Chemistry A 2014)
adf/nonlinearopt.1678849084.txt.gz · 最后更改: 2023/03/15 10:58 由 liu.jun

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