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Di He

A new potential energy surface for the ground electronic state of the LiH 2 system, and dynamics studies on the H( 2 S) + LiH(X 1 Σ + ) → Li( 2 S) + H 2 (X 1 Σ g + ) reaction
2015 · Jiuchuang Yuan, Di He, et al. · Physical Chemistry Chemical Physics · 53
Global diabatic potential energy surfaces and quantum dynamical studies for the Li(2p) + H2(X1Σ+g) → LiH(X1Σ+) + H reaction
2016 · Di He, Jiuchuang Yuan, et al. · Scientific Reports · 37
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Diabatic potential energy surfaces of MgH 2 + and dynamic studies for the Mg + (3p) + H 2 → MgH + + H reaction
2018 · Jiuchuang Yuan, Di He, et al. · Physical Chemistry Chemical Physics · 34
Non-adiabatic dynamics studies of the K(4p 2 P) + H 2 (X 1 Σ+g) reaction based on new diabatic potential energy surfaces
2020 · Wentao Li, Xuemei Wang, et al. · Physical Chemistry Chemical Physics · 30
Insights for vibronic effects on spectral shapes of electronic circular dichroism and circularly polarized luminescence of aza[7]helicene
2020 · Yanli Liu, Qiushuang Xu, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 26
Dynamics studies of the H + HBr reaction: Based on a new potential energy surface
2019 · Wentao Li, Di He, et al. · The Journal of Chemical Physics · 25
Non-adiabatic dynamics studies of the H( 2 S) + LiH(X 1 Σ + ) reaction by time-dependent wave packet method
2020 · Wentao Li, Jixiao Sun, et al. · Physical Chemistry Chemical Physics · 24
Size Dependence of [ n ]Cycloparaphenylenes ( n = 9–20): Relationship between Aromaticity and Third-Order Nonlinear Optical Properties
2020 · Li Wang, Sheng-Hui Chen, et al. · The Journal of Physical Chemistry C · 22
Assembling of Perylene, Naphthalene, and Pyromellitic Diimide-Based Materials and Their Third-Order Nonlinear Optical Properties
2022 · Li Wang, Yan-Li Liu, et al. · The Journal of Physical Chemistry A · 19
A new potential energy surface for the H2S system and dynamics study on the S(1D) + H2(X1Σg+) reaction
2015 · Jiuchuang Yuan, Di He, et al. · Scientific Reports · 19
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Influence of rovibrational excitation on the non-diabatic state-to-state dynamics for the Li(2p) + H2 → LiH + H reaction
2017 · Di He, Jiuchuang Yuan, et al. · Scientific Reports · 18
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A new potential energy surface for the ground state of the LiH 2 + system and dynamic studies on LiH + (X 2 Σ + ) + H( 2 S) → Li + ( 1 S) + H 2 (X 1 Σ+g)
2017 · Man Dong, Wentao Li, et al. · RSC Advances · 14
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The nonlinear optical properties and noncovalent interactions of supramolecular Donor−acceptor−donor assemblies between molecular tweezers and fullerenes
2022 · Li Wang, Yan-Li Liu, et al. · Journal of Luminescence · 13
A new potential energy surface of LiHCl system and dynamic studies for the Li(2S) + HCl(X1Σ+) → LiCl(X1Σ+) + H(2S) reaction
2016 · Di He, Jiuchuang Yuan, et al. · The Journal of Chemical Physics · 13
A new global potential energy surface of the SH 2 + (X 4 A′′) system and quantum calculations for the S + + H 2 ( v = 0–3, j = 0) reaction
2021 · Ziliang Zhu, Aijie Zhang, et al. · Physical Chemistry Chemical Physics · 11
Influence of collision energy and reagent vibrational excitation on the stereodynamics of the reaction H + LiH → H2+ Li
2013 · Zhijun Jiang, Meishan Wang, et al. · Chemical Physics · 11
Theoretical study on some carbohelicenes dyes with tunable emission wavelength: Optical properties, vibronic effect, quantum yield
2022 · Qiushuang Xu, Yanli Liu, et al. · Dyes and Pigments · 10
The effects of collision energy and reagent vibrational excitation on the reactivity of the reaction H+LiH: A quasiclassical trajectory study
2012 · Zhi-Jun Jiang, Mei-Shan Wang, et al. · Computational and Theoretical Chemistry · 10
Construction of diabatic potential energy surfaces for the SiH2+ system and dynamics studies of the Si+(2P1/2, 3/2) + H2 reaction
2024 · Wentao Li, Yongping Liang, et al. · The Journal of Chemical Physics · 9
Dynamic exfoliation of graphene in various solvents: All-atom molecular simulations
2022 · Shenghui Chen, Quanjiang Li, et al. · Chemical Physics Letters · 9
A study on the non-adiabatic dynamics of the Li(2p) + H2 → Li(2 s) + H2 quenching reaction calculated by time-dependent wavepacket method
2021 · Di He, Wentao Li, et al. · Chemical Physics Letters · 8
Effect of intermolecular interaction of the charge-transfer complex between molecular “tweezers” and C 60 /C 70 on second-order nonlinear optical properties
2023 · Li Wang, Yan-Li Liu, et al. · Physical Chemistry Chemical Physics · 7
The effect of intramolecular and intermolecular charge transfers on the third order nonlinear optical properties of the self−assemble chromophores
2022 · Li Wang, Yan-Li Liu, et al. · Journal of Luminescence · 7
The spectral-shapes of absorption, emission, ECD and CPL of a fluorene-fused [7]helicene: Vibronic effect and solvent inhomogenous broadening
2020 · Yanli Liu, Qiushuang Xu, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 7
The effect of the CPP size on the nonlinear optical properties of the new necklace-type molecules formed by carborane and [n]Cycloparaphenylenes(n = 8–11)
2023 · Li Wang, Yan-Li Liu, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 6
Works count: 48
Citation count: 489
H-index: 13
I10-index: 18
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