DFT Insights on the Modulation of Different Bridging Groups for the Optical Properties of Charge-Transfer Cocrystal
- 22 September 2025
- journal article
- Published by American Chemical Society (ACS) in Crystal Growth & Design
- Vol. 25 (19) , 7941-7952
Abstract
No abstract availableFunding Information
- China Scholarship Council (202406090139)
- Priority Academic Program Development of Jiangsu Higher Education Institutions (1107047002)
- SEU Innovation Capability Enhancement Plan for Doctoral Students (CXJH_SEU 24172)
This publication has 53 references indexed in Scilit:
- Ligand Meta‐Anchoring Strategy in Metal–Organic Frameworks for Remarkable Promotion of Quantum YieldsAngewandte Chemie International Edition, 2024
- Naphth[4]arene: Synthesis, Conformations, and Application in Color‐Tunable Supramolecular Crystalline AssembliesAngewandte Chemie International Edition, 2023
- An sp-hybridized all-carboatomic ring, cyclo[18]carbon: Electronic structure, electronic spectrum, and optical nonlinearityCarbon, 2020
- Why the lowest electronic excitations of rhodamines are overestimated by time‐dependent density functional theoryInternational Journal of Quantum Chemistry, 2018
- Deepening Insights of Charge Transfer and Photophysics in a Novel Donor–Acceptor Cocrystal for Waveguide Couplers and Photonic Logic ComputationAdvanced Materials, 2016
- Multiwfn: A multifunctional wavefunction analyzerJournal of Computational Chemistry, 2011
- Effect of the damping function in dispersion corrected density functional theoryJournal of Computational Chemistry, 2011
- σ‐ and π‐electron contributions to the substituent effect: natural population analysisJournal of Physical Organic Chemistry, 2009
- Laser Emission in a Dye Doped Cholesteric Polymer NetworkAdvanced Materials, 2002
- VMD: Visual molecular dynamicsJournal of Molecular Graphics, 1996