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3901 Jiguang Du, Gang Jiang, Adsorption of actinide ion complexes on C60O: An all-electron ZORA-DFT-D3 study, Spectro. Chim. Acta A, 223, 117375 (2019) https://www.sciencedirect.com/science/article/pii/S1386142519307656

3902 Lei Liu, Bingqing Sun, Jiancheng Pen, et al., Reconsider the fluorescence properties of 5-ASA and its sensing mechanism for iodide ion, Spectro. Chim. Acta A, 223, 117369 (2019) https://www.sciencedirect.com/science/article/pii/S1386142519307590

3903 Qingqing Jia, Hai‐Bei Li, Mo Luo, Jingjing Wang, Effects of Electronic Structure of Adjacent Carbon on the Strength of C─F⋯H─F Organofluorine Hydrogen Bonds, J. Comput. Chem. (2019) https://onlinelibrary.wiley.com/doi/full/10.1002/jcc.26022

3904 Yutai Qi, Zhe Tang, Hongbin Zhan, et al., A new interpretation of the ESIPT mechanism of 2-(benzimidazol-2-yl)-3-hydroxychromone derivatives, Spectro. Chim. Acta A (2019) https://www.sciencedirect.com/science/article/pii/S1386142519307498

3905 Chaofan Sun, Xing Su, Qiao Zhou, Ying Shi, Regularly tuning the ESIPT reactions of 3-hydroxychromone-based derivatives by the functional group substitutions, Org. Chem. Front. (2019) https://pubs.rsc.org/en/content/articlelanding/2019/qo/c9qo00722a

3906 I.K. Petrushenko, K.B. Petrushenko, Hydrogen physisorption on nitrogen-doped graphene and graphene-like boron nitride-carbon heterostructures: a DFT study, Surf. Interfaces (2019) https://www.sciencedirect.com/science/article/pii/S2468023019301452

3907 Masoud Arabieh, Zahra Moghaddaszadeh, Mohammad Reza Toosi, Mehran Lagzian, Enhancing the interaction between CO and single layer black phosphorous via transition metals impurities and external electric field: a theoretical study, Res. Chem. Intermediat. (2019) https://link.springer.com/article/10.1007/s11164-019-03921-1

3908 Chen Zhu, Huifeng Yue, Bholanath Maity, et al., A multicomponent synthesis of stereodefined olefins via nickel catalysis and single electron/triplet energy transfer, Nat. Catal. (2019) https://www.nature.com/articles/s41929-019-0311-x

3909 Milos Rankovic, Jan Chalabala, Mateusz Zawadzki, et al., Dissociative ionization dynamics of dielectric gas C3F7CN, Phys. Chem. Chem. Phys. (2019) https://pubs.rsc.org/en/content/articlehtml/2019/cp/c9cp02188d

3910 Cuihong Sun, Baoen Xu, Liqiang Lv, Shaowen Zhang, Theoretical investigation on the reaction mechanism and kinetics of Criegee Intermediate with ethylene and acetylene , Phys. Chem. Chem. Phys. (2019) https://pubs.rsc.org/en/content/articlelanding/2019/cp/c9cp02644d#!divAbstract

3911 Zhibin Qu, Fei Sun, Jihui Gao, A new insight into the role of coal adsorbed water in low-temperature oxidation: Enhanced·OH radical generation, Combust. Flame, 208, 27 (2019) https://www.sciencedirect.com/science/article/pii/S0010218019302767

3912 Lili Tian, Yuangang Xu, Qiuhan Lin, New syntheses of energetic cyclo‐pentazolate salts, Chem. Asian. J. (2019) https://onlinelibrary.wiley.com/doi/abs/10.1002/asia.201900776

3913 Xing Lu, Shuaifeng Hu, Wangqiang Shen, et al., Crystallographic and Theoretical Investigations of Er2@C2n (2n = 82, 84, 86): Indication of Distance‐Dependent Metal‐Metal Bonding Nature, Chem. Eur. J. (2019) https://onlinelibrary.wiley.com/doi/abs/10.1002/chem.201902321

3914 Zeyu Liu, Tian Lu, Shugui Hua, Yi Yu, Aromaticity of Hückel and Möbius Topologies involved in Conformation Conversion of Macrocyclic [32]Octaphyrin(1.0.1.0.1.0.1.0): Refined Evidences from Multiple Visual Criteria, J. Phys. Chem. C (2019) https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.9b06302

3915 Andong Xia, Xinmiao Niu, Prabhat Gautam, et al., Intramolecular Charge Transfer and Solvation Dynamics of Push-Pull Dyes with Different pi-Conjugated Linkers, Phys. Chem. Chem. Phys. (2019) https://pubs.rsc.org/en/content/articlehtml/2019/cp/c9cp02559f

3916 Ting‐Ting You, Nan Yang, Ying‐Qi Shu, Peng‐Gang Yin, A DFT study on graphene‐based surface‐enhanced Raman spectroscopy of Benzenedithiol adsorbed on gold/graphene, J. Raman Spectrosc. (2019) https://onlinelibrary.wiley.com/doi/full/10.1002/jrs.5673

3917 Yang Shen, Xiang Li, Jinting Ye, Yongqing Qiu, A DFT study on second-order NLO properties of bis-cyclometalated Iridium(III) complexes with chelating dicarbene auxiliary ligands, Comput. Theor. Chem. (2019) https://www.sciencedirect.com/science/article/pii/S2210271X19302294

3918 Lixia Kang, Zheng Sun, Lingpeng Meng, Xiaoyan Li, Aromaticity Analysis of Fused Heterometallacycles Containing M-M(M=Cr, Mo and W) Quintuple Bond, Chem. Phys. Lett. (2019) https://www.sciencedirect.com/science/article/pii/S0009261419305718

3919 Hajime Torii, Correlation between the partially charge-transfer and covalent nature of halogen bonding with the THz and IR spectral changes, Phys. Chem. Chem. Phys. (2019) https://pubs.rsc.org/en/content/articlelanding/2019/cp/c9cp02747e

3920 Cui Wang, Qun-Yan Wu, Xiang-He Kong, et al., Theoretical Insights into the Selective Extraction of Americium(III) over Europium(III) with Dithioamide-Based Ligands, Inorg. Chem. (2019) https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.9b01200

3921 Rongbao Liao, Ying Geng, Min Li, et al., Strong fluorescence of a complex based on 2,2-dipyridyl derivative----An experimental and theoretical investigation, J. Lumin., 215, 116611 (2019) https://www.sciencedirect.com/science/article/pii/S0022231319309275

3922 Hassan Hashemzadeh, Heidar Raissi, Loading and release of anticancer drug from phosphorene as a template material with high efficient carrier: From vacuum to cell membrane, J. Mol. Liq., 291, 111346 (2019) https://www.sciencedirect.com/science/article/pii/S0167732219306920

3923 Ludmila E.Campos, Francisco M.Garibotto, Emilio Angelina, et al., Searching New Structural Scaffolds for BRAF Inhibitors. An Integrative Study using theoretical and experimental techniques, Bioorg. Chem. (2019) https://www.sciencedirect.com/science/article/pii/S0045206819305322

3924 Leila Saedi, Mohammad Dodangi, Arefeh Mohammadpanaardakan, Mitra Eghtedari, Superalkali–Superhalogen Complexes as Versatile Materials for Hydrogen Storage: A Theoretical Study, J. Clust. Sci. (2019) https://link.springer.com/article/10.1007/s10876-019-01618-4

3925 Raza ullah shah Bacha, Yan-Ting Bi, Li-Chun Xuan, Qing-Jiang Pan, Inverse Trans Influence in Low-Valence Actinide–Group 10 Metal Complexes of Phosphinoaryl Oxides: A Theoretical Study via Tuning Metals and Donor Ligands, Inorg. Chem. (2019) https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.9b01193