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Synergistic degradation of Orange G in water via water surface plasma assisted with β-Bi2O3/CaFe2O4

Korean Journal of Chemical Engineering, 2023, 40(5), 278, pp.1122-1132

2023

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Simulating temperature and tautomeric effects for vibrationally resolved XPS of biomolecules: Combining time-dependent and time-independent approaches to fingerprint carbonyl groups

The Journal of chemical physics, 2024-09, Vol.161 (10)

2024

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A QM/MM Study on the X‑ray Spectra of Organic Proton Transfer Crystals of Isonicotinamides

Journal of physical chemistry. C, 2022-09, Vol.126 (37), p.15849-15863

2022

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An Efficient Implementation of the Generalized Energy-Based Fragmentation Approach for General Large Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-08, Vol.114 (31), p.8126-8134

2010

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Transient X‑ray Absorption Spectral Fingerprints of the S1 Dark State in Uracil

The journal of physical chemistry letters, 2019-11, Vol.10 (22), p.7172-7178

2019

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MCNOX: A code for computing and interpreting ultrafast nonlinear X-ray spectra of molecules at the multiconfigurational level

Computer physics communications, 2024-03, Vol.296, p.109016, Article 109016

Hua, Weijie

2024

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Effects of structural variations to x-ray absorption spectra of g-C3N4: Insight from DFT and TDDFT simulations

Applied physics letters, 2024-04, Vol.124 (14)

2024

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On the spectral profile change in the Q band absorption spectra of metalloporphyrins (Mg, Zn, and Pd): A first-principles study

The Journal of chemical physics, 2019-04, Vol.150 (16), p.164308-164308

2019

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On the choice of shape and size for truncated cluster-based x-ray spectral simulations of 2D materials

The Journal of chemical physics, 2022-09, Vol.157 (9), p.094704-094704

2022

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A Large Protonated Water Cluster H+(H2O)27 in a 3D Metal−Organic Framework

Journal of the American Chemical Society, 2006-10, Vol.128 (41), p.13318-13319

2006

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Strain effect on the orientation-dependent harmonic spectrum of monolayer aluminum nitride

Science China. Physics, mechanics & astronomy, 2020-05, Vol.63 (5), p.257311, Article 257311

2020

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Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene

The Journal of chemical physics, 2014-07, Vol.141 (4), p.044313-044313

2014

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An approach for the preparation of highly sensitive electrochemical impedimetric immunosensors for the detection of illicit drugs

Journal of electroanalytical chemistry (Lausanne, Switzerland), 2014-07, Vol.726, p.1-6

2014

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Coherent (photon) vs incoherent (current) detection of multidimensional optical signals from single molecules in open junctions

The Journal of chemical physics, 2015-06, Vol.142 (21), p.212445-212445

2015

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Manipulating spatial alignment of donor and acceptor in host–guest MOF for TADF

National science review, 2022-09, Vol.9 (8), p.nwab222-nwab222

2022

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Study of double core hole excitations in molecules by X-ray double-quantum-coherence signals: a multi-configuration simulation

Chemical science (Cambridge), 2016-01, Vol.7 (9), p.5922-5933

2016

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Optimal Dispatching of Distribution Network Considering System Flexibility and User Thermal Comfort

IEEE access, 2021, Vol.9, p.107895-107908

2021

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Pulsed discharge plasma on water surface coupled with CaFe2O4/Bi2O3 composites for synergistic degradation of aqueous tetracycline hydrochloride

Separation and purification technology, 2021-12, Vol.279, p.119691, Article 119691

2021

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Global Impact and Balancing Act: Deciphering the Effect of Fluorination on B 1s Binding Energies in Fluorinated h‑BN Nanosheets

Precision Chemistry, 2024-06, Vol.2 (6), p.239-244

2024

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Geometry Optimizations and Vibrational Spectra of Large Molecules from a Generalized Energy-Based Fragmentation Approach

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-10, Vol.112 (43), p.10864-10872

2008

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Mechanistic Insight on the Diels–Alder Reaction Catalyzed by a Self-Assembled Molecular Capsule

Journal of organic chemistry, 2013-04, Vol.78 (8), p.3577-3582

2013

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The role of transition dipole phase in atomic attosecond transient absorption from the multi-level model

Structural dynamics (Melville, N.Y.), 2019-09, Vol.6 (5), p.054102-054102

2019

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Effects of domain size on x-ray absorption spectra of boron nitride doped graphenes

Applied physics letters, 2016-08, Vol.109 (8)

2016

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Monitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopy

Structural dynamics (Melville, N.Y.), 2016-03, Vol.3 (2), p.023601-023601

2016

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Theoretical Study of Core Excitations of Fullerene-Based Polymer Solar Cell Acceptors

Journal of physical chemistry. C, 2012-11, Vol.116 (45), p.23938-23944

2012

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Synergistic degradation of Orange G in water via water surface plasma assisted with β-Bi2O3/CaFe2O4

Simulating temperature and tautomeric effects for vibrationally resolved XPS of biomolecules: Combining time-dependent and time-independent approaches to fingerprint carbonyl groups

A QM/MM Study on the X‑ray Spectra of Organic Proton Transfer Crystals of Isonicotinamides

An Efficient Implementation of the Generalized Energy-Based Fragmentation Approach for General Large Molecules

Transient X‑ray Absorption Spectral Fingerprints of the S1 Dark State in Uracil

MCNOX: A code for computing and interpreting ultrafast nonlinear X-ray spectra of molecules at the multiconfigurational level

Effects of structural variations to x-ray absorption spectra of g-C3N4: Insight from DFT and TDDFT simulations

On the spectral profile change in the Q band absorption spectra of metalloporphyrins (Mg, Zn, and Pd): A first-principles study

On the choice of shape and size for truncated cluster-based x-ray spectral simulations of 2D materials

A Large Protonated Water Cluster H+(H2O)27 in a 3D Metal−Organic Framework

Strain effect on the orientation-dependent harmonic spectrum of monolayer aluminum nitride

Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene

An approach for the preparation of highly sensitive electrochemical impedimetric immunosensors for the detection of illicit drugs

Coherent (photon) vs incoherent (current) detection of multidimensional optical signals from single molecules in open junctions

Manipulating spatial alignment of donor and acceptor in host–guest MOF for TADF

Study of double core hole excitations in molecules by X-ray double-quantum-coherence signals: a multi-configuration simulation

Optimal Dispatching of Distribution Network Considering System Flexibility and User Thermal Comfort

Pulsed discharge plasma on water surface coupled with CaFe2O4/Bi2O3 composites for synergistic degradation of aqueous tetracycline hydrochloride

Global Impact and Balancing Act: Deciphering the Effect of Fluorination on B 1s Binding Energies in Fluorinated h‑BN Nanosheets

Geometry Optimizations and Vibrational Spectra of Large Molecules from a Generalized Energy-Based Fragmentation Approach

Mechanistic Insight on the Diels–Alder Reaction Catalyzed by a Self-Assembled Molecular Capsule

The role of transition dipole phase in atomic attosecond transient absorption from the multi-level model

Effects of domain size on x-ray absorption spectra of boron nitride doped graphenes

Monitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopy

Theoretical Study of Core Excitations of Fullerene-Based Polymer Solar Cell Acceptors

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