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Journal of Computational Chemistry|February 27, 2009
Gibbs energy of activation for thermal isomerization of (1Z)-acetaldehyde hydrazone and (1Z)-acetaldehyde N,N-dimethylhydrazone by Gaussian-4 theory and CCSD(T)/CBS computationsShih-I Lu
The Journal of Physical Chemistry. A|June 29, 2018
Calculations of Electronic Excitation Energies and Excess Electric Dipole Moments of Solvated p-Nitroaniline with the EOM-CCSD-PCM MethodShih-I Lu, Li-Ting Gao
The Journal of Chemical Physics|October 14, 2011
Density functional theory calculations of dynamic first hyperpolarizabilities for organic molecules in organic solvent: comparison to experimentShih-I Lu, Cheng-Chang Chiu, Ying-Fung Wang
Mikrochimica Acta|May 31, 2023
Detection of nitrofurazone with metal-organic frameworks and reduced graphene oxide composites: insights from molecular dynamics simulationsXiu-Yu Liu, Ssu-Chia Huang, Yi-Ting Hsieh, et al.
RSC Advances|April 28, 2022
Electrochemical characterization of and theoretical insight into a series of 2D MOFs, [M(bipy)(C4O4)(H2O)2]·3H2O (M = Mn (1), Fe (2), Co (3) and Zn (4)), for chemical sensing applicationsYi-Ting Hsieh, Ssu-Chia Huang, Shih-I Lu, et al.
Chemical Communications (Cambridge, England)|November 22, 2023
Fluorination on cyclopentadithiophene-based hole-transport materials for high-performance perovskite solar cellsGizachew Belay Adugna, Kun-Mu Lee, Hsiao-Chi Hsieh, et al.
Small (Weinheim an Der Bergstrasse, Germany)|February 18, 2026
Co-Assembly with Donor-Acceptor Self-Assembled Monolayers to Enhance Interfacial Hole Extraction, Wettability, and Crystallization in Inverted Perovskite Solar CellsHao-Wei Yu, Yun-Shuo Liu, Hung-Chen Huang, et al.
Chemistry, an Asian Journal|June 17, 2025
Asymmetric Fluorinated Cyclopenta[2,1-b:3,4-b']Dithiophene-Based Hole-Transporting Materials for Perovskite Solar CellKun-Mu Lee, Jui-Ting Pan, Wen-Tzu Chen, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|November 28, 2024
Judicious Molecular Design of 5H‑Dithieno[3,2‑b:2',3'‑d]Pyran-based Hole-Transporting Materials for Highly Efficient and Stable Perovskite Solar CellsKun-Mu Lee, Chia-Hui Lin, Chia-Chi Chang, et al.
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