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882. Andrés G. Algarra*, Computational insights into the S3transfer reaction: A special case of double group transfer reaction featuring bicyclically delocalized aromatic transition state geometries. Journal of Computational Chemistry 2017, 38(22), 1966-1973.

883. Benoı̂t Braı̈da; Sérgio E. Galembeck; Philippe C. Hiberty, Ozone and Other 1,3-Dipoles: Toward a Quantitative Measure of Diradical Character. Journal of Chemical Theory and Computation 2017, 13(7), 3228-3235.

884. Rodrigo M. Pontes; Ernani A. Basso; Danilo Eduardo Martins; Rafael Martinez Madeira, Acidities under the Perspective of Energy Decomposition Analysis. The Journal of Physical Chemistry A 2017, 121(26), 4993-5004.

885. Junjing Gu; Wei Wu; David Danovich; Roald Hoffmann; Yuta Tsuji; Sason Shaik, Valence Bond Theory Reveals Hidden Delocalized Diradical Character of Polyenes. Journal of the American Chemical Society 2017, 139(27), 9302-9316.

886. Natsuhiko Sugimura; Yoko Igarashi; Reiko Aoyama; Toshimichi Shibue*, Energy decomposition analysis of the interactions in adduct ions of acetophenone and Na+, NH4+ and H+ in the gas phase. Chemical Physics Letters 2017. 20-23.

887. Su Chen; Jun Ishii; Shunsuke Horiuchi; Masahiro Yoshizawa‐Fujita; Ekaterina I. Izgorodina*, Difference in chemical bonding between lithium and sodium salts: influence of covalency on their solubility. Physical Chemistry Chemical Physics 2017, 19(26), 17366-17372.

888. Daniel S. G. Quattrociocchi; José Walkimar de M. Carneiro; Gláucio B. Ferreira; Stanislav R. Stoyanov; Raimundo Damasceno; Leonardo Moreira da Costa*, Design of Molecular Building Blocks for the Development of Nickel(II)-Chelating Agents. ChemistrySelect 2017, 2(17), 4617-4625.

889. Paul M. Zimmerman*, Strong correlation in incremental full configuration interaction. The Journal of Chemical Physics 2017, 146(22).

890. Janet Soleimannejad*; Sima Sedghiniya; Tahereh Taghavi; Esfandiar Nazarnia; Jan Janczak, Synthesis, structural and theoretical study of two new proton transfer compounds based on diphenic acid. Journal of Molecular Structure 2017. 244-251.

891. Mehdi D. Esrafili*; Parisasadat Mousavian, Mutual influence between triel bond and cation–π interactions: an ab initio study. Molecular Physics 2017, 115(23), 2999-3010.

892. Vijay Madhav Miriyala; Priya Bhasi; Zanele P. Nhlabatsi; Sanyasi Sitha, Formation of a pre-reaction hydrogen-bonded complex and its significance in the potential energy surface of the OH + SO2→ HOSO2 reaction: A computational study. Journal of Theoretical and Computational Chemistry 2017, 16(05), 1750046-1750046.

893. Kanupriya Verma*; K. S. Viswanathan*, The borazine dimer: the case of a dihydrogen bond competing with a classical hydrogen bond. Physical Chemistry Chemical Physics 2017, 19(29), 19067-19074.

894. E. Francisco; Ángel Martín Pendás, Energy Partition Analyses: Symmetry-Adapted Perturbation Theory and Other Techniques. Elsevier eBooks 2017. 27-64.

895. Quanli Gu*; Peifeng Su*; Yong Xia*; Zhijun Yang*; Carl Trindle*; J. L. Knee*, Quantitative probing of subtle interactions among H-bonds in alpha hydroxy carboxylic acid complexes. Physical Chemistry Chemical Physics 2017, 19(36), 24399-24411.

896. Campbell F. R. Mackenzie; Peter R. Spackman; Dylan Jayatilaka; Mark A. Spackman, CrystalExplorermodel energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems. IUCrJ 2017, 4(5), 575-587.

897. Vincent Tognetti*; Laurent Joubert*, On Atoms‐in‐Molecules Energies from Kohn–Sham Calculations. ChemPhysChem 2017, 18(19), 2675-2687.

898. Huili Xu; Jianbo Cheng*; Xin Yang; Zhen-Bo Liu; Wenzuo Li; Qingzhong Li*, Comparison of σ‐Hole and π‐Hole Tetrel Bonds Formed by Pyrazine and 1,4‐Dicyanobenzene: The Interplay between Anion–π and Tetrel Bonds. ChemPhysChem 2017, 18(18), 2442-2450.

899. Bo Lü; Xueying Zhang; Lingpeng Meng; Yanli Zeng, Insight into π-hole interactions containing the inorganic heterocyclic compounds S2N2/SN2P2. Journal of Molecular Modeling 2017, 23(8).

900. Amit K. Samanta; Pujarini Banerjee; Biman Bandyopadhyay; Prasenjit Pandey; Tapas Chakraborty*, Antagonistic Interplay Between an Intermolecular CH···O and an Intramolecular OH···O Hydrogen Bond in a 1:1 Complex Between 1,2-Cyclohexanedione and Chloroform: A Combined Matrix Isolation Infrared and Quantum Chemistry Study. The Journal of Physical Chemistry A 2017, 121(32), 6012-6020.