1241. Yuanxin Wei; Qingzhong Li, Comparison for σ-hole and π-hole tetrel-bonded complexes involving cyanoacetaldehyde. Molecular Physics 2017, 116(2), 222-230.

1242. Yuezhi Mao; Paul R. Horn; Martin Head‐Gordon, Energy decomposition analysis in an adiabatic picture. Physical Chemistry Chemical Physics 2017, 19(8), 5944-5958.

1243. 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.

1244. 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.

1245. 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.

1246. Agnes Lincy Arokiyanathan; Senthilkumar Lakshmipathi, Molecular properties of metal difluorides and their interactions with CO2 and H2O molecules: a DFT investigation. Journal of Molecular Modeling 2017, 23(12).

1247. 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.

1248. Sason Shaik; David Danovich; Philippe C. Hiberty, To hybridize or not to hybridize? This is the dilemma. Computational and Theoretical Chemistry 2017. 242-249.

1249. Hailiang Zhao; Xiaotong Jiang; Lin Du, Contribution of methane sulfonic acid to new particle formation in the atmosphere. Chemosphere 2017. 689-699.

1250. Slavko Radenković; David Danovich; Sason Shaik; Philippe C. Hiberty; Benoı̂t Braı̈da, The nature of bonding in metal-metal singly bonded coinage metal dimers: Cu 2 , Ag 2 and Au 2. Computational and Theoretical Chemistry 2017. 195-201.

1251. 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.

1252. Hongyang Li; Wenjian Liu; Bingbing Suo, Localization of open-shell molecular orbitals via least change from fragments to molecule. The Journal of Chemical Physics 2017, 146(10).

1253. Maximillian J. S. Phipps; Thomas Fox; Christofer S. Tautermann; Chris‐Kriton Skylaris, Intuitive Density Functional Theory-Based Energy Decomposition Analysis for Protein–Ligand Interactions. Journal of Chemical Theory and Computation 2017, 13(4), 1837-1850.

1254. 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.

1255. Chandra Shekar Sarap; Sanjay Kumar Meena; Rotti Srinivasamurthy Swathi, Interlocked benzenes in triangular π-architectures: anchoring groups dictate ion binding and transmission. Physical Chemistry Chemical Physics 2017, 19(16), 10264-10273.

1256. 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.

1257. Maryam Zaboli; ‪Heidar Raissi, DFT and MD study of adsorption sensitivity of aluminium phosphide nanotube towards some air pollutant gas molecules. Molecular Simulation 2017, 43(9), 675-690.

1258. Amol Baliram Patil; Bhalchandra M. Bhanage, Assessing ionicity of protic ionic liquids by far IR spectroscopy. Journal of Molecular Liquids 2017. 180-183.

1259. 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.

1260. Xuhui Lin; Huaiyu Zhang; Xiao‐Yu Jiang; Wei Wu; Yirong Mo, The Origin of the Non-Additivity in Resonance-Assisted Hydrogen Bond Systems. The Journal of Physical Chemistry A 2017, 121(44), 8535-8541.