On the origin and nature of internal methyl rotation barriers: an information-theoretic approach study
Wang, Kedi, He, Xin, Rong, Chunying, Zhong, Aiguo, Liu, Shubin, Zhao, Dongbo
Published in Theoretical chemistry accounts (01.11.2022)
Published in Theoretical chemistry accounts (01.11.2022)
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Topological analysis of information-theoretic quantities in density functional theory
He, Xin, Lu, Tian, Rong, Chunying, Liu, Shubin, Ayers, Paul W, Liu, Wenjian
Published in The Journal of chemical physics (07.08.2023)
Published in The Journal of chemical physics (07.08.2023)
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Finite difference representation of information-theoretic approach in density functional theory
Guo, Chunna, Li, Meng, Rong, Chunying, Liu, Shubin
Published in Theoretical chemistry accounts (01.09.2023)
Published in Theoretical chemistry accounts (01.09.2023)
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Conformational changes for porphyrinoid derivatives: an information-theoretic approach study
He, Xin, Li, Meng, Yu, Donghai, Wang, Bin, Zhao, Dongbo, Rong, Chunying, Liu, Shubin
Published in Theoretical chemistry accounts (01.09.2021)
Published in Theoretical chemistry accounts (01.09.2021)
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Global and local aromaticity of acenes from the information-theoretic approach in density functional reactivity theory
Yu, Donghai, Stuyver, Thijs, Rong, Chunying, Alonso, Mercedes, Lu, Tian, De Proft, Frank, Geerlings, Paul, Liu, Shubin
Published in Physical chemistry chemical physics : PCCP (2019)
Published in Physical chemistry chemical physics : PCCP (2019)
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Theoretical Study of pKa Values for Trivalent Rare-Earth Metal Cations in Aqueous Solution
Yu, Donghai, Du, Ruobing, Xiao, Ji-Chang, Xu, Shengming, Rong, Chunying, Liu, Shubin
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.01.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.01.2018)
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Journal Article
Density-based Reactivity Theory Applied to Excited States
An, Xiaoyan, Zhang, Wenbiao, He, Xin, Li, Meng, Rong, Chunying, Liu, Shubin
Published in AAPPS bulletin (01.12.2024)
Published in AAPPS bulletin (01.12.2024)
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Revisiting the trapping of noble gases (He–Kr) by the triatomic H3+ and Li3+ species: a density functional reactivity theory study
He, Xin, Guo, Chunna, Li, Meng, Zhong, Shujing, Wan, Xinjie, Rong, Chunying, Chattaraj, Pratim K., Zhao, Dongbo
Published in Journal of molecular modeling (01.05.2022)
Published in Journal of molecular modeling (01.05.2022)
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A white light emitting phosphor Sr1.5Ca0.5SiO4:Eu3+, Tb3+, Eu2+ for LED-based near-UV chip: Preparation, characterization and luminescent mechanism
Chen, Xi, Zhao, Junfeng, Yu, Liping, Rong, Chunying, Li, Chengzhi, Lian, Shixun
Published in Journal of luminescence (01.12.2011)
Published in Journal of luminescence (01.12.2011)
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LiSrBO3:Eu2+: A novel broad-band red phosphor under the excitation of a blue light
Zhang, Jilin, Zhang, Xinguo, Gong, Menglian, Shi, Jianxin, Yu, Liping, Rong, Chunying, Lian, Shixun
Published in Materials letters (15.07.2012)
Published in Materials letters (15.07.2012)
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Impact of Lewis Acids on Diels−Alder Reaction Reactivity: A Conceptual Density Functional Theory Study
Xia, Yue, Yin, Dulin, Rong, Chunying, Xu, Qiong, Yin, Donghong, Liu, Shubin
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.10.2008)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.10.2008)
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Journal Article
Changes in Structure and Reactivity of Ng2 Encapsulated in Fullerenes: A Density Functional Theory Study
Li, Meng, He, Xin, Wang, Bin, Zhao, Dongbo, Rong, Chunying, Chattaraj, Pratim K., Liu, Shubin
Published in Frontiers in chemistry (03.07.2020)
Published in Frontiers in chemistry (03.07.2020)
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