Search Results - "Lu Shih-I" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

Fluorinated Pentafulvalene‐Fused Hole‐Transporting Material Enhances the Performance of Perovskite Solar Cells with Efficiency Exceeding 23

Fluorinated Pentafulvalene‐Fused Hole‐Transporting Material Enhances the Performance of Perovskite Solar Cells with Efficiency Exceeding 23

by Lee, Kun‐Mu, Huang, Yao‐Shen, Chiu, Wei‐Hao, Huang, Ying‐Kai, Chen, Gao, Adugna, Gizachew Belay, Li, Sie‐Rong, Lin, Fang‐Ju, Lu, Shih‐I., Hsieh, Hsiao‐Chi, Liau, Kang‐Ling, Huang, Chun‐Cheng, Tai, Yian, Tao, Yu‐Tai, Lin, Yan‐Duo
Published in Advanced functional materials (01.11.2023)

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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 applications

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 applications

by Yi-Ting Hsieh, Huang, Ssu-Chia, Shih-I Lu, Wang, Hsiao-Hsun, Tsai-Wen, Chang, Wang, Chih-Chieh, Gene-Hsiang, Lee, Yu-Chun, Chuang
Published in RSC advances (02.08.2021)

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Fluorination on cyclopentadithiophene-based hole-transport materials for high-performance perovskite solar cells

Fluorination on cyclopentadithiophene-based hole-transport materials for high-performance perovskite solar cells

by Adugna, Gizachew Belay, Lee, Kun-Mu, Hsieh, Hsiao-Chi, Lu, Shih-I, Hsieh, Yu-Chien, Yang, June Hung, Chiu, Wei-Hao, Liau, Kang-Ling, Tao, Yu-Tai, Lin, Yan-Duo
Published in Chemical communications (Cambridge, England) (12.12.2023)

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Computational study of static first hyperpolarizability of donor-acceptor substituted (E)-benzaldehyde phenylhydrazone

Computational study of static first hyperpolarizability of donor-acceptor substituted (E)-benzaldehyde phenylhydrazone

by Lu, Shih-I
Published in Journal of computational chemistry (01.03.2011)

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Quantum mechanics/fluctuating charge calculations for absorption spectra of aqueous green fluorescent protein chromophore

Quantum mechanics/fluctuating charge calculations for absorption spectra of aqueous green fluorescent protein chromophore

by Lu, Shih‐I, Wang, Bo‐Cheng
Published in Journal of the Chinese Chemical Society (Taipei) (01.05.2023)

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Detection of nitrofurazone with metal–organic frameworks and reduced graphene oxide composites: insights from molecular dynamics simulations

Detection of nitrofurazone with metal–organic frameworks and reduced graphene oxide composites: insights from molecular dynamics simulations

by Liu, Xiu-Yu, Huang, Ssu-Chia, Hsieh, Yi-Ting, Lu, Shih-I, Wang, Hsaio-Hsun, Wang, Chih-Chieh, Chuang, Yu-Chun
Published in Mikrochimica acta (1966) (01.06.2023)

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Computational analysis of geometric structures and edge‐termination effects of boron‐nitride and edge‐termination boron‐nitride nanoribbons

Computational analysis of geometric structures and edge‐termination effects of boron‐nitride and edge‐termination boron‐nitride nanoribbons

by Wang, Houng‐Wei, Lu, Shih‐I, Wang, Bo‐Cheng
Published in Journal of the Chinese Chemical Society (Taipei) (01.03.2023)

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The role of distributed atomic point charges and polarizabilities of solvent molecules on one‐ and two‐photon absorption spectra of aqueous p‐nitroaniline

The role of distributed atomic point charges and polarizabilities of solvent molecules on one‐ and two‐photon absorption spectra of aqueous p‐nitroaniline

by Lu, Shih‐I, Wang, Bo‐Cheng
Published in Journal of the Chinese Chemical Society (Taipei) (01.03.2021)

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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 computations

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 computations

by Lu, Shih -I
Published in Journal of computational chemistry (15.11.2009)

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Discrete Solvent Reaction Field Calculations for One- and Two-Photon Absorptions of Solution-Phase Dimethylaminonitrostilbene Molecule

Discrete Solvent Reaction Field Calculations for One- and Two-Photon Absorptions of Solution-Phase Dimethylaminonitrostilbene Molecule

by Lu, Shih-I
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.06.2019)

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Application of discrete solvent reaction field model with self-consistent atomic charges and atomic polarizabilities to calculate the χ(1) and χ(2) of organic molecular crystals

Application of discrete solvent reaction field model with self-consistent atomic charges and atomic polarizabilities to calculate the χ(1) and χ(2) of organic molecular crystals

by Lu, Shih-I
Published in Chemical physics letters (01.01.2018)

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Synthesis, Structural Characterization and Hirshfeld Surface Analysis of a 2D Coordination Polymer, [Co(4-dpds)(bdc)(H2O)2] 4-dpds

Synthesis, Structural Characterization and Hirshfeld Surface Analysis of a 2D Coordination Polymer, [Co(4-dpds)(bdc)(H2O)2] 4-dpds

by Wang, Chih-Chieh, Huang, Zi-Ling, Tseng, Yueh-Yi, Sheu, Gia-Bin, Lu, Shih-I, Lee, Gene-Hsiang, Sheu, Hwo-Shuenn
Published in Crystals (Basel) (01.05.2020)

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Calculations of Electronic Excitation Energies and Excess Electric Dipole Moments of Solvated p‑Nitroaniline with the EOM-CCSD-PCM Method

Calculations of Electronic Excitation Energies and Excess Electric Dipole Moments of Solvated p‑Nitroaniline with the EOM-CCSD-PCM Method

by Lu, Shih-I, Gao, Li-Ting
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.07.2018)

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Application of discrete solvent reaction field to second-order susceptibility of organic molecular crystal

Application of discrete solvent reaction field to second-order susceptibility of organic molecular crystal

by Lu, Shih-I
Published in Theoretical chemistry accounts (01.07.2016)

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On the performance of range-separated hybrid in computations of dynamic quadratic polarizability of solution-phase organic molecules: a comparison to MP2(Full) calculation

On the performance of range-separated hybrid in computations of dynamic quadratic polarizability of solution-phase organic molecules: a comparison to MP2(Full) calculation

by Lu, Shih-I
Published in Theoretical chemistry accounts (2015)

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Computational investigation of first hyperpolarizability in substituted hydrazones

Computational investigation of first hyperpolarizability in substituted hydrazones

by Lu, Shih-I
Published in Chemical physics letters (21.08.2013)

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Assessment of the global and range-separated hybrids for computing the dynamic second-order hyperpolarizability of solution-phase organic molecules

Assessment of the global and range-separated hybrids for computing the dynamic second-order hyperpolarizability of solution-phase organic molecules

by Lu, Shih-I
Published in Theoretical chemistry accounts (01.02.2014)

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Electrochemical characterization of and theoretical insight into a series of 2D MOFs, [M(bipy)(C 4 O 4 )(H 2 O) 2 ]·3H 2 O (M = Mn (1), Fe (2), Co (3) and Zn (4)), for chemical sensing applications

Electrochemical characterization of and theoretical insight into a series of 2D MOFs, [M(bipy)(C 4 O 4 )(H 2 O) 2 ]·3H 2 O (M = Mn (1), Fe (2), Co (3) and Zn (4)), for chemical sensing applications

by Hsieh, Yi-Ting, Huang, Ssu-Chia, Lu, Shih-I, Wang, Hsiao-Hsun, Chang, Tsai-Wen, Wang, Chih-Chieh, Lee, Gene-Hsiang, Chuang, Yu-Chun
Published in RSC advances (02.08.2021)

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Density functional theory calculations of dynamic first hyperpolarizabilities for organic molecules in organic solvent: comparison to experiment

Density functional theory calculations of dynamic first hyperpolarizabilities for organic molecules in organic solvent: comparison to experiment

by Lu, Shih-I, Chiu, Cheng-Chang, Wang, Ying-Fung
Published in The Journal of chemical physics (07.10.2011)

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The K-band λ max values of the ultraviolet–visible spectra of some hydrazones in ethanol by a TD-DFT/PCM approach

The K-band λ max values of the ultraviolet–visible spectra of some hydrazones in ethanol by a TD-DFT/PCM approach

by Lu, Shih-I
Published in Chemical physics letters (19.07.2010)

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