Search Results - "Cheng, Xin‐Lu" :: K.UTB vyhledávací portál

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Bandgaps in free‐standing monolayer TiO2: Ab initio diffusion quantum Monte Carlo study

by Huang, Xia, Zhang, Hong, Cheng, Xin‐Lu
Published in International journal of quantum chemistry (15.06.2021)

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Real-time dynamic simulation of laser-induced N2 dissociation on two-dimensional graphene sheets

by Chen, Jiuhuan, Xin-Lu, Cheng, Zhang, Hong
Published in Physical chemistry chemical physics : PCCP (22.03.2023)

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Exhaustive state-specific dissociation study of the N2(Σg+1)+N(S4) system using QCT combined with a neural network method

by Gu, Kun-Ming, Zhang, Hong, Cheng, Xin-Lu
Published in The Journal of chemical physics (28.06.2023)

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Predicting the structural and electronic properties of two-dimensional single layer boron nitride sheets

by Li, Xiao-Dong, Cheng, Xin-Lu
Published in Chemical physics letters (16.02.2018)

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Dissociation cross sections and rates in O2 + N collisions: molecular dynamics simulations combined with machine learning

by Huang, Xia, Kun-Ming Gu, Chang-Min, Guo, Xin-Lu, Cheng
Published in Physical chemistry chemical physics : PCCP (08.11.2023)

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Theoretical study on isostructural pressure-induced phase transition of solid ethane at extremely low temperature

by Zhu, Sheng-Hai, Cheng, Xin-Lu, Liu, Qi-Jun, Liu, Zheng-Tang
Published in Applied physics letters (04.03.2024)

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Computational study on the reaction collisions for the state-to-state process of N(4 S)+NO(2Π)→O(3 P)+N2(X 1Σ+ g)

by Wang, Ya-Xin, Zhang, Hong, Cheng, Xin-Lu
Published in Molecular physics (17.12.2021)

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Tuning the Electronic and Magnetic Properties of In-Planar Graphene/Boron Nitride Heterostructure by Doping 3d Transition Metal Atom

by Liu, Xiang-Yue, Zhang, Hong, Cheng, Xin-Lu
Published in Journal of physical chemistry. C (12.09.2019)

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Protein tyrosine phosphatase receptor type kappa (PTPRK) revisited: evolving insights into structure, function, and pathology

by Zheng, Chen, Liu, Ting, Wang, An Qi, Chen, Xing An, Zhang, Rong Zhe, Wang, Xuan Chao, Lv, Chao Yue, Pan, Ru Lu, Wang, Ou Chen, Lu, Xin-Cheng
Published in Journal of translational medicine (12.05.2025)

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MD simulation of methane adsorption properties on pillared graphene bubble models

by Jiang, Hao, Cheng, Xin-Lu
Published in Journal of molecular modeling (01.08.2019)

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Polyhedral silver clusters as single molecule ammonia sensor based on charge transfer-induced plasmon enhancement

by Chen, Jiu-Huan, Cheng, Xin-Lu
Published in Chinese physics B (01.01.2023)

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Microporous activated carbons from coconut shells produced by self-activation using the pyrolysis gases produced from them, that have an excellent electric double layer performance

by Sun, Kang, Leng, Chang-yu, Jiang, Jian-chun, Bu, Quan, Lin, Guan-feng, Lu, Xin-cheng, Zhu, Guang-zhen
Published in New carbon materials (01.10.2017)

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Plasmon Excitation in BC3 Nanostructures from First Principles

by Chen, Jiuhuan, Cheng, Xin-Lu, Zhang, Hong
Published in Plasmonics (Norwell, Mass.) (15.02.2019)

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Tunable Localized Surface Plasmon Resonances in a New Graphene-Like Si2BN’s Nanostructures

by Yuan, Shi-Jia, Zhang, Hong, Cheng, Xin-Lu
Published in Plasmonics (Norwell, Mass.) (01.06.2018)

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Phase stability and mechanical response of tantalum nitrides to electronic excitation effect

by Yan, Gai-Qin, Cheng, Xin-Lu, Zhang, Hong
Published in Materials research express (01.06.2020)

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Band gaps and the possible effect on impact sensitivity for some nitro aromatic explosive materials

by Zhang, Hong, Cheung, Frankie, Zhao, Feng, Cheng, Xin-Lu
Published in International journal of quantum chemistry (2009)

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Multiscale Study of Hydrogen Adsorption, Diffusion, and Desorption on Li-Doped Phthalocyanine Covalent Organic Frameworks

by Guo, Jing-Hua, Zhang, Hong, Liu, Zhi-Pan, Cheng, Xin-Lu
Published in Journal of physical chemistry. C (02.08.2012)

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Rate coefficients for C and O2 reactive collisions relevant to interstellar clouds from QCT and machine learning

by Huang, Xia, Cheng, Xin-Lu, Zhang, Hong
Published in The Journal of chemical physics (14.11.2024)

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The role of the sextet potential energy surface in O2 + N inelastic collision processes

by Huang, Xia, Xin-Lu, Cheng
Published in Physical chemistry chemical physics : PCCP (08.02.2023)

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Theoretical studies of some bimolecular reactions during the decomposition of CH3NO2: reactions between NO2 and nine intermediates

by Zhang, Ji-Dong, Zhang, Li-Li, Cheng, Xin-Lu
Published in Journal of molecular modeling (01.02.2017)

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