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Theoretical Investigation of an Excited-State Intramolecular Proton-Transfer Mechanism for an Asymmetric Structure of 3,7-Dihydroxy-4-oxo-2-phenyl‑4H‑chromene-8-carbaldehyde: Single or Double?

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-11, Vol.121 (46), p.8807-8814

2017

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COSMO-RS prediction, liquid-liquid equilibrium experiment and quantum chemistry calculation for the separation of n-butanol and n-heptane system using ionic liquids

The Journal of chemical thermodynamics, 2022-04, Vol.167, p.106719, Article 106719

2022

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TDDFT Study on the ESIPT Properties of 2-(2'-Hydroxyphenyl)-Benzothiazole and Sensing Mechanism of a Derived Fluorescent Probe for Fluoride Ion

Molecules (Basel, Switzerland), 2024-04, Vol.29 (7), p.1541

2024

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Adsorption Technology and Mechanism of Roxarsone and Arsenic(V) Combined Pollution in Wastewater by Modified Plant Ash Biochar

Russian Journal of Physical Chemistry A, 2023, Vol.97 (1), p.248-256

2023

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Effective Technique and Mechanism for Simultaneous Adsorption of As(III/V) from Wastewater by Fe-ZIF-8@MXene

Toxics (Basel), 2024-06, Vol.12 (6), p.419

2024

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Attachment of −tBu groups to aza-BODIPY core at 3,5-sites with ultra-large Stokes shift to enhance photothermal therapy through apoptosis mechanism

Materials today bio, 2022-12, Vol.16, p.100446-100446, Article 100446

2022

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Removal Technology and Mechanism of Arsenic From Wastewater by Zeolite Imidazole Framework-8@Carbon Nanodots

Water, air, and soil pollution, 2024-10, Vol.235 (10), p.616, Article 616

2024

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New Insights into the Recognition and Sensing Mechanism of a H2S Fluorescent Probe: A Theoretical Perspective

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-05, Vol.126 (18), p.2788-2793

2022

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Theoretical Study on the Quick Thermal Decomposition Pathways for MTNI(1-Methyl-2,4,5-Trinitroimidazole)

Chemical physics letters, 2022-09, Vol.802, p.139798, Article 139798

2022

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Determination of illegal additive - ethyl maltol in edible oil by LC-MS/MS in China

Journal of food composition and analysis, 2022-12, Vol.114, p.104822, Article 104822

2022

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Theoretical study on initial decomposition paths of energetic materials featuring RDX ring

International journal of quantum chemistry, 2024-01, Vol.124 (1), p.n/a

2024

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New Insights into the Recognition and Sensing Mechanism of a H 2 S Fluorescent Probe: A Theoretical Perspective

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-05, Vol.126 (18), p.2788-2793

2022

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The role of regioisomerism on thermal stability of furoxan based energetic materials

Journal of molecular structure, 2022-08, Vol.1262, p.132955, Article 132955

2022

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Theoretical insights into the synthesis mechanism of two amino‐substituted derivatives of FOX‐7

International journal of quantum chemistry, 2023-04, Vol.123 (8), p.n/a

2023

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Theoretical study on several important decomposition paths of FOX-7 and its derivatives

Computational and theoretical chemistry, 2022-11, Vol.1217, p.113895, Article 113895

2022

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Theoretical investigation on the sensing mechanism of a fluorescent probe 3TBN for cyanide anion detection

Computational and theoretical chemistry, 2022-09, Vol.1215, p.113837, Article 113837

2022

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Investigation on the combustion mechanism for NF 3 /H 2 in DF/HF chemical lasers: a new perspective based on deep potential molecular dynamics simulations

Physical chemistry chemical physics : PCCP, 2024

2024

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Unraveling the significant role of inter-HBs blocking the dark state in the “OFF/ON” sensing mechanism of fluorescent probe detecting picric acid

Journal of photochemistry and photobiology. A, Chemistry., 2023-11, Vol.445, p.115035, Article 115035

2023

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Mechanistic Investigation on the Initial Thermal Decomposition of Energetic Materials FOX‑7 and RDX in the Crystal and Gas Phase: An MM/DFT-Based ONIOM Calculation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-03, Vol.126 (10), p.1666-1673

2022

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Theoretical study based on the excited state dynamical of an oxadiazole derivative: A novel fluorescence mechanism

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2023-12, Vol.302, p.123011, Article 123011

2023

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Separation of methyl ethyl ketone - methanol azeotrope by ionic liquids: Thermodynamic and molecular mechanism

Chemical engineering science, 2023-12, Vol.282, p.119314, Article 119314

2023

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Microwave-Assisted Dispersive Liquid–Liquid Microextraction Combined with HPLC for the Determination of Three Biogenic Amines in Beverages

Journal of chromatographic science, 2023-10, Vol.61 (8), p.790-798

2023

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Extending the Legible Time of Light-Responsive Rewritable Papers with a Tunable Photochromic Diarylethene Molecule

ACS applied materials & interfaces, 2021-11, Vol.13 (43), p.51414-51425

2021

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Theoretical Study on the Synthesis Efficiency and Yield of Imidazole Derivatives Based on the Glyoxal and Diamine

International journal of quantum chemistry, 2024-10, Vol.124 (19), p.n/a

2024

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Exploring the mechanisms of excited-state intramolecular proton transfer in hydroxyphenyl-benzimidazole derivatives: A theoretical perspective

Journal of molecular structure, 2024-08, Vol.1309, p.138172, Article 138172

2024

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Theoretical Investigation of an Excited-State Intramolecular Proton-Transfer Mechanism for an Asymmetric Structure of 3,7-Dihydroxy-4-oxo-2-phenyl‑4H‑chromene-8-carbaldehyde: Single or Double?

COSMO-RS prediction, liquid-liquid equilibrium experiment and quantum chemistry calculation for the separation of n-butanol and n-heptane system using ionic liquids

TDDFT Study on the ESIPT Properties of 2-(2'-Hydroxyphenyl)-Benzothiazole and Sensing Mechanism of a Derived Fluorescent Probe for Fluoride Ion

Adsorption Technology and Mechanism of Roxarsone and Arsenic(V) Combined Pollution in Wastewater by Modified Plant Ash Biochar

Effective Technique and Mechanism for Simultaneous Adsorption of As(III/V) from Wastewater by Fe-ZIF-8@MXene

Attachment of −tBu groups to aza-BODIPY core at 3,5-sites with ultra-large Stokes shift to enhance photothermal therapy through apoptosis mechanism

Removal Technology and Mechanism of Arsenic From Wastewater by Zeolite Imidazole Framework-8@Carbon Nanodots

New Insights into the Recognition and Sensing Mechanism of a H2S Fluorescent Probe: A Theoretical Perspective

Theoretical Study on the Quick Thermal Decomposition Pathways for MTNI(1-Methyl-2,4,5-Trinitroimidazole)

Determination of illegal additive - ethyl maltol in edible oil by LC-MS/MS in China

Theoretical study on initial decomposition paths of energetic materials featuring RDX ring

New Insights into the Recognition and Sensing Mechanism of a H 2 S Fluorescent Probe: A Theoretical Perspective

The role of regioisomerism on thermal stability of furoxan based energetic materials

Theoretical insights into the synthesis mechanism of two amino‐substituted derivatives of FOX‐7

Theoretical study on several important decomposition paths of FOX-7 and its derivatives

Theoretical investigation on the sensing mechanism of a fluorescent probe 3TBN for cyanide anion detection

Investigation on the combustion mechanism for NF 3 /H 2 in DF/HF chemical lasers: a new perspective based on deep potential molecular dynamics simulations

Unraveling the significant role of inter-HBs blocking the dark state in the “OFF/ON” sensing mechanism of fluorescent probe detecting picric acid

Mechanistic Investigation on the Initial Thermal Decomposition of Energetic Materials FOX‑7 and RDX in the Crystal and Gas Phase: An MM/DFT-Based ONIOM Calculation

Theoretical study based on the excited state dynamical of an oxadiazole derivative: A novel fluorescence mechanism

Separation of methyl ethyl ketone - methanol azeotrope by ionic liquids: Thermodynamic and molecular mechanism

Microwave-Assisted Dispersive Liquid–Liquid Microextraction Combined with HPLC for the Determination of Three Biogenic Amines in Beverages

Extending the Legible Time of Light-Responsive Rewritable Papers with a Tunable Photochromic Diarylethene Molecule

Theoretical Study on the Synthesis Efficiency and Yield of Imidazole Derivatives Based on the Glyoxal and Diamine

Exploring the mechanisms of excited-state intramolecular proton transfer in hydroxyphenyl-benzimidazole derivatives: A theoretical perspective

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