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Huaxin Liu

Dalian Maritime University

1 Linghai Road

Dalian, 116026

China

SCHOLARLY PAPERS

9

DOWNLOADS

232

TOTAL CITATIONS

2

Scholarly Papers (9)

A Theoretical Perspective on the Sensing Mechanism of a 7-Hydroxy-4-Methylcoumarin Based Fluorescence Probe for H2s Detection

Number of pages: 21 Posted: 23 Jan 2025
Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Dalian Maritime University, Dalian Maritime University, affiliation not provided to SSRN and Shenyang University of Chemical Technology
Downloads 40 (1,210,354)

Abstract:

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fluorescent probe, sensing mechanism, H2S, TICT

2.

Exploring the Thermal Decomposition Mechanism of Nitromethane Via a Neural Network Potential

Number of pages: 24 Posted: 14 May 2024
Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Shandong University, Dalian Maritime University, Dalian Polytechnic University, Shenyang University of Chemical Technology, Dalian Maritime University and Chinese Academy of Sciences (CAS) - State Key Laboratory of Molecular Reaction Dynamics
Downloads 70 (875,328)

Abstract:

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Molecular dynamics, Decomposition mechanism, Neural network potential, Nitromethane

3.

Theoretical Study on the Synthesis of Hmx Via Nitrolysis of Tat Promoted by Ionic Liquids

Number of pages: 20 Posted: 20 Aug 2024
Dalian Maritime University, Shenyang University of Chemical Technology, Dalian Maritime University, Dalian Maritime University, Binzhou Medical University and Guangxi University
Downloads 30 (1,318,317)

Abstract:

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Ionic liquids, energetic materials, HMX, TAT

4.

The Influence of Regioisomerism Effect on the Pyrolytic Dissociation Mechanisms of High-Nitrogen Azole-Based Energetic Materials

Number of pages: 29 Posted: 11 Apr 2025
Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Dalian Maritime University, Dalian Maritime University, affiliation not provided to SSRN and Shenyang University of Chemical Technology
Downloads 23 (1,411,822)

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Regioisomerism, Thermal stability, Initial decomposition mechanism, 1, 2, 4-Oxadiazole, Pyrazole

5.

Theoretical Investigation of a Pyrene-Based Fluorescent Probe for Cn−: Recognition-Induced Tict Suppression and Fluorescence Turn-On Mechanism

Number of pages: 23 Posted: 18 May 2025
Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Dalian Maritime University, Dalian Maritime University, affiliation not provided to SSRN and Shenyang University of Chemical Technology
Downloads 16 (1,491,251)

Abstract:

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Fluorescent probe, Recognition mechanisms, CN-, TICT

6.

Exploring the Mechanisms of Excited-State Intramolecular Proton Transfer in Hydroxyphenyl-Benzimidazole Derivatives: A Theoretical Perspective

Number of pages: 14 Posted: 13 Dec 2023
Shandong University, Dalian Maritime University, Shenyang University of Chemical Technology, Dalian Maritime University, Dalian Maritime University, Dalian Maritime University, Dalian Maritime University and Dalian Maritime University
Downloads 14 (1,509,872)
Citation 2

Abstract:

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ESIPT, TD-DFT, Rotamerization, Dual fluorescence, Charge transfer.

7.

Thermal decomposition regulated by the regioisomerism effect in high-nitrogen azole-based energetic materials

Number of pages: 32 Posted: 01 Sep 2025
Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Dalian Maritime University, Dalian Maritime University, affiliation not provided to SSRN, Chinese Academy of Sciences (CAS) - State Key Laboratory of Molecular Reaction Dynamics and Shenyang University of Chemical Technology
Downloads 13 (1,518,554)

Abstract:

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Regioisomerism, Thermal stability, Initial decomposition mechanism, 1, 2, 4-Oxadiazole, Pyrazole

8.

Revealing the Thermal Stability Regulation Mechanism of Nitroaromatic Cl-20 Co-Crystal Materials: A Neural Network Potential Simulation

Number of pages: 33 Posted: 08 Jul 2025
Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Dalian Maritime University, Dalian Maritime University, affiliation not provided to SSRN and Shenyang University of Chemical Technology
Downloads 13 (1,518,554)

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Molecular dynamics, Neural network potential, CL-20 cocrystal, Decomposition mechanism

9.

Theoretical Investigation of a Pyrene-Based Fluorescent Probe for Cn⁻: Recognition-Induced Tict Suppression and Fluorescence Turn-On Mechanism

Number of pages: 24 Posted: 15 Apr 2025
Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Shenyang University of Chemical Technology, Dalian Maritime University, Dalian Maritime University, affiliation not provided to SSRN and Shenyang University of Chemical Technology
Downloads 13 (1,518,554)

Abstract:

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Fluorescent Probe, sensing mechanism, CN-, TICT