901. Ginny Karir; K. S. Viswanathan, H−π Landscape of the Phenylacetylene–HCl System: Does This Provide the Gateway to the Markovnikov Addition?. The Journal of Physical Chemistry A 2017, 121(31), 5797-5808.

902. Xing Yang; Fan Yang; Ruizhi Wu; Chaoxian Yan; Da‐Gang Zhou; Panpan Zhou*; Xiaojun Yao*, Linear σ-hole⋯C O⋯σ-hole intermolecular interactions between carbon monoxide and dihalogen molecules XY (X, Y = Cl, Br). Journal of Molecular Graphics and Modelling 2017. 419-428.

903. Marija Baranac‐Stojanović*, 4π‐Electron B–N Monocycles: Stability and (Anti)aromaticity. European Journal of Organic Chemistry 2017, 2017(34), 5163-5169.

904. Yuanxin Wei; Hai‐Bei Li*; Jianbo Cheng; Wen‐Zuo Li; Qingzhong Li*, Prominent enhancing effects of substituents on the strength of π···σ‐hole tetrel bond. International Journal of Quantum Chemistry 2017, 117(23).

905. Zongyuan Liu; Carl Trindle; Quanli Gu*; Wei Wu; Peifeng Su*, Unravelling hydrogen bonding interactions of tryptamine–water dimer from neutral to cation. Physical Chemistry Chemical Physics 2017, 19(37), 25260-25269.

906. Jia‐Jia Zheng; Shinpei Kusaka; Ryotaro Matsuda; Susumu Kitagawa; Shigeyoshi Sakaki, Characteristic Features of CO2 and CO Adsorptions to Paddle-Wheel-type Porous Coordination Polymer. The Journal of Physical Chemistry C 2017, 121(35), 19129-19139.

907. Jan Turek*; Benoı̂t Braı̈da; Frank De Proft, Bonding in Heavier Group 14 Zero‐Valent Complexes—A Combined Maximum Probability Domain and Valence Bond Theory Approach. Chemistry - A European Journal 2017, 23(58), 14604-14613.

908. Guilan Fan; Ruifang Li; Zhenfeng Shang*; Xiufang Xu*, Ph(R)IF⋯HF (R = Me, Et, i Pr, t Bu) interaction: A strong hydrogen bond between hypervalent iodine compounds and HF. Computational and Theoretical Chemistry 2017. 45-52.

909. Natsuhiko Sugimura; Yoko Igarashi; Reiko Aoyama; Toshimichi Shibue*, Energy-decomposition analysis of ion-neutral complexes along reaction coordinates of unimolecular proton-transfer reaction in gas phase: Comparison between 2-butanol radical ion and protonated 2-ethoxypropane ion. Chemical Physics Letters 2017. 124-130.

910. Bojidarka Ivanova*; Michael Spiteller, On the nature of the coordination bonding of metal–organics for ions with the d 10 electronic configuration – Experimental and theoretical analyses. Polyhedron 2017. 256-264.

911. Marilena Ferbinţeanu; Maria Cristina Buta; Ana Maria Toader; Fanica Cimpoesu, The Spin Coupling in the Polyaromatic Hydrocarbons and Carbon-Based Materials. Springer eBooks 2017. 327-371.

912. Gabriel J. Buralli; Darío J. R. Duarte*; Nélida M. Peruchena*; Ibón Alkorta, Simultaneous Occurrence of Quadruple Lewis Acid–Base Interactions between Selenium Atoms in Selenocarbonyl Dimers. ChemPhysChem 2017, 18(23), 3498-3503.

913. Jo Takeuchi*; Kyozaburo Takeda, Theoretical possibility of the chiral recognition of amino acids by a peptide nanoring. Computational and Theoretical Chemistry 2017. 53-64.

914. Hideo Ando*; Senku Tanaka; Kouichi Matsumoto; Yoshihide Nakao, Theoretical study on steric deconjugation of poly(3-hexylthiophene) through bromination. Chemical Physics Letters 2017. 60-65.

915. Slavko Radenković*; Marija Antić; Nada D. Savić; Biljana Đ. Glišić, The nature of the Au–N bond in gold(iii) complexes with aromatic nitrogen-containing heterocycles: the influence of Au(iii) ions on the ligand aromaticity. New Journal of Chemistry 2017, 41(21), 12407-12415.

916. Dominik Domin; Benoı̂t Braı̈da; Jacqueline Bergès, Influence of Water on the Oxidation of Dimethyl Sulfide by the ·OH Radical. The Journal of Physical Chemistry B 2017, 121(40), 9321-9330.

917. Tommaso Giovannini; Piero Lafiosca; Chiara Cappelli*, A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches. Journal of Chemical Theory and Computation 2017, 13(10), 4854-4870.

918. Yuanxin Wei; Qingzhong Li*, Comparison for σ-hole and π-hole tetrel-bonded complexes involving cyanoacetaldehyde. Molecular Physics 2017, 116(2), 222-230.

919. Sérgio E. Galembeck; Giovanni F. Caramori; Alechania Misturini; Leone C. Garcia; Renato P. Orenha, Metal–Ligand Bonding Situation in Ruthenophanes Containing Multibridged Cyclophanes. Organometallics 2017, 36(18), 3465-3470.

920. Yuanxin Wei; Jianbo Cheng; Wenzuo Li; Qingzhong Li*, Regulation of coin metal substituents and cooperativity on the strength and nature of tetrel bonds. RSC Advances 2017, 7(73), 46321-46328.