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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)

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)

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)

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)

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)

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)

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)

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)

3909 Milos Rankovic, Jan Chalabala, Mateusz Zawadzki, et al., Dissociative ionization dynamics of dielectric gas C3F7CN, Phys. Chem. Chem. Phys. (2019)

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)!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)

3912 Lili Tian, Yuangang Xu, Qiuhan Lin, New syntheses of energetic cyclo‐pentazolate salts, Chem. Asian. J. (2019)

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)

3914 Zeyu Liu, Tian Lu, Shugui Hua, Yi Yu, Aromaticity of Hückel and Möbius Topologies involved in Conformation Conversion of Macrocyclic [32]Octaphyrin( Refined Evidences from Multiple Visual Criteria, J. Phys. Chem. C (2019)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)