1181. 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.

1182. Yuezhi Mao; Paul R. Horn; Martin Head‐Gordon, Energy decomposition analysis in an adiabatic picture. Physical Chemistry Chemical Physics 2017, 19(8), 5944-5958.

1183. Hailiang Zhao; Xiaotong Jiang; Lin Du, Contribution of methane sulfonic acid to new particle formation in the atmosphere. Chemosphere 2017. 689-699.

1184. 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.

1185. Yuehong Wang; Xiaoyan Li; Yanli Zeng; Lingpeng Meng; Xueying Zhang, Theoretical insights into the π-hole interactions in the complexes containing triphosphorus hydride (P3H3) and its derivatives. Acta Crystallographica Section B Structural Science Crystal Engineering and Materials 2017, 73(2), 195-202.

1186. 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.

1187. Valérie Vallet; Ingmar Grenthe, Structure and Bonding in Uranyl(VI) Peroxide and Crown Ether Complexes; Comparison of Quantum Chemical and Experimental Data. Inorganic Chemistry 2017, 56(24), 15231-15240.

1188. Tomasz Sierański, Discovering the stacking landscape of a pyridine-pyridine system. Journal of Molecular Modeling 2017, 23(12).

1189. E. Francisco; Ángel Martín Pendás, Energy Partition Analyses: Symmetry-Adapted Perturbation Theory and Other Techniques. Elsevier eBooks 2017. 27-64.

1190. 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.

1191. Yun Zhang; Hong Huang; Zhiling Liang; Houhe Liu; L. Yi; Jinhong Zhang; Zhiqiang Zhang; Cheng Zhong; Yugang Huang; Guodong Ye, Microscopic progression in the free radical addition reaction: modeling, geometry, energy, and kinetics. Journal of Molecular Modeling 2017, 23(3).

1192. Qun Zeng; Yu Ma; Jinshan Li; Chaoyang Zhang, Energy decomposition of intermolecular interactions in energetic co-crystals. CrystEngComm 2017, 19(19), 2687-2694.

1193. Emma Ahlstrand; J. Zukerman‐Schpector; Ran Friedman, Computer simulations of alkali-acetate solutions: Accuracy of the forcefields in difference concentrations. The Journal of Chemical Physics 2017, 147(19).

1194. Kaushik Hatua; Avijit Mondal; Paramita Banerjee; Prasanta K. Nandi, Diffuse electron of alkali metals (Li, Na, K) or diffuse electron pair of alkaline earth metals (Be, Mg, Ca) which predict larger second hyperpolarizability? A comprehensive study of M⋯NH3 model compounds. Chemical Physics Letters 2017. 160-165.

1195. Vincent Tognetti; Laurent Joubert, On Atoms‐in‐Molecules Energies from Kohn–Sham Calculations. ChemPhysChem 2017, 18(19), 2675-2687.

1196. Fernanda Duarte; Anna Pabis; Shina Caroline Lynn Kamerlin, Introduction to the Empirical Valence Bond Approach. 2017. 27-61.

1197. Emma Ahlstrand; Kersti Hermansson; Ran Friedman, Interaction Energies in Complexes of Zn and Amino Acids: A Comparison of Ab Initio and Force Field Based Calculations. The Journal of Physical Chemistry A 2017, 121(13), 2643-2654.

1198. Tobias A. Schaub; Rebecca Sure; Frank Hampel; Stefan Grimme; Milan Kivala, Quantum Chemical Dissection of the Shortest P=O⋅⋅⋅I Halogen Bond: The Decisive Role of Crystal Packing Effects. Chemistry - A European Journal 2017, 23(24), 5687-5691.

1199. Pengfei Li; Kenneth M. Merz, Metal Ion Modeling Using Classical Mechanics. Chemical Reviews 2017, 117(3), 1564-1686.

1200. Yanzhi Liu; Kun Yuan; Liu Liu; Yuan Zhao; Yuancheng Zhu, Anion Recognition Based on a Combination of Double-Dentate Hydrogen Bond and Double-Side Anion−π Noncovalent Interactions. The Journal of Physical Chemistry A 2017, 121(4), 892-900.