1381. Roderick M. Macrae, Puzzles in Bonding and Spectroscopy: The Case of Dicarbon†. Science Progress 2016, 99(1), 1-58.

1382. Chengqian Yuan; Pan An; Jing Chen; Zhixun Luo; Jiannian Yao, Unraveling weak interactions in aniline-pyrrole dimer clusters. Science China Chemistry 2016, 59(10), 1270-1276.

1383. Nahoko Kuroki; Hirotoshi Mori, Effective Fragment Potential Version 2 - Molecular Dynamics (EFP2-MD) Simulation for Investigating Solution Structures of Ionic Liquids. Chemistry Letters 2016, 45(8), 1009-1011.

1384. Bo Lü; Xueying Zhang; Lingpeng Meng; Yanli Zeng, The Pt (II)⋅⋅⋅Cl Interactions: Nature and Strength. ChemistrySelect 2016, 1(18), 5698-5705.

1385. Chen Zhou; Yang Zhang; Xiping Gong; Fuming Ying; Peifeng Su; Wei Wu, Hamiltonian Matrix Correction Based Density Functional Valence Bond Method. Journal of Chemical Theory and Computation 2016, 13(2), 627-634.

1386. D. Mukhopadhyay; Souvick Biswas; Tapas Chakraborty, LIF Spectroscopy of p-Fluorophenol···Water Complex: Hydrogen Bond Vibrations, Fermi Resonance, and Vibrational Relaxation in the Excited State. The Journal of Physical Chemistry A 2016, 120(46), 9159-9169.

1387. Mehdi D. Esrafili; Hossein Kiani; Fariba Mohammadian‐Sabet, Tuning of carbon bonds by substituent effects: an ab initio study. Molecular Physics 2016, 114(24), 3658-3668.

1388. Mingxiu Liu; Qingzhong Li; Jianbo Cheng; Wenzuo Li; Hai‐Bei Li, Tetrel bond of pseudohalide anions with XH3F (X = C, Si, Ge, and Sn) and its role in SN2 reaction. The Journal of Chemical Physics 2016, 145(22).

1389. Charlotte Brückner; Christof Walter; Bernd Engels, Theoretical investigation of the interactions between the π‐systems of molecular organic semiconductors and an analysis of the contributions of repulsion and electrostatics. International Journal of Quantum Chemistry 2016, 116(15), 1138-1152.

1390. Xiping Gong; Zhenhua Chen; Wei Wu, The application of cholesky decomposition in valence bond calculation. Journal of Computational Chemistry 2016, 37(23), 2157-2162.

1391. Quanli Gu; Zhen Tang; Peifeng Su; Wei Wu; Zhijun Yang; Carl Trindle; J. L. Knee, Communication: Physical origins of ionization potential shifts in mixed carboxylic acids and water complexes. The Journal of Chemical Physics 2016, 145(5).

1392. Xin Chang; Yang Zhang; Xin-Zhen Weng; Peifeng Su; Wei Wu; Yirong Mo, Red-Shifting versus Blue-Shifting Hydrogen Bonds: Perspective from Ab Initio Valence Bond Theory. The Journal of Physical Chemistry A 2016, 120(17), 2749-2756.

1393. Chen Zhou; Yang Zhang; Xiping Gong; Fuming Ying; Peifeng Su; Wei Wu, Hamiltonian Matrix Correction Based Density Functional Valence Bond Method. Journal of Chemical Theory and Computation 2016, 13(2), 627-634.

1394. Siyi Li; Di Wu; Ying Li; Dan Yu; Jiayuan Liu; Zhi‐Ru Li, Insight into structural and π–magnesium bonding characteristics of the X2Mg⋯Y (X = H, F; Y = C2H2, C2H4and C6H6) complexes. RSC Advances 2016, 6(104), 102754-102761.

1395. Xiping Gong; Zhenhua Chen; Wei Wu, The application of cholesky decomposition in valence bond calculation. Journal of Computational Chemistry 2016, 37(23), 2157-2162.

1396. Amol Baliram Patil; Bhalchandra M. Bhanage, Modern ab initio valence bond theory calculations reveal charge shift bonding in protic ionic liquids. Physical Chemistry Chemical Physics 2016, 18(23), 15783-15790.

1397. Amol Baliram Patil; Bhalchandra M. Bhanage, Brønsted acidity of protic ionic liquids: a modern ab initio valence bond theory perspective. Physical Chemistry Chemical Physics 2016, 18(37), 26020-26025.

1398. Mohammad Solimannejad; Behnia Sadat Mirhoseini; Mehdi D. Esrafili, Microsolvation of CH+ in helium: An ab initio study. Journal of Theoretical and Computational Chemistry 2016, 15(02), 1650018-1650018.

1399. Xin Guo; Yu‐Ping Yang; Qingzhong Li; Hai‐Bei Li, Origin of selenium–gold interaction in F2CSe⋯AuY (Y = CN, F, Cl, Br, OH, and CH3): Synergistic effects. The Journal of Chemical Physics 2016, 144(11).

1400. E. Alan Salter; Andrzej Wierzbicki, The response electron–electron repulsion energy and energy component analysis in CC/MBPT methods. Structural Chemistry 2016, 27(5), 1501-1509.