1421. Mingxiu Liu; Qingzhong Li; Wenzuo Li; Jianbo Cheng, Carbene tetrel-bonded complexes. Structural Chemistry 2016, 28(3), 823-831.

1422. Gerard Alcover-Fortuny; Rosa Caballol; Kristine Pierloot; Coen de Graaf, Role of the Imide Axial Ligand in the Spin and Oxidation State of Manganese Corrole and Corrolazine Complexes. Inorganic Chemistry 2016, 55(11), 5274-5280.

1423. Jérôme F. Gonthier; C. David Sherrill, Density-fitted open-shell symmetry-adapted perturbation theory and application toπ-stacking in benzene dimer cation and ionized DNA base pair steps. The Journal of Chemical Physics 2016, 145(13).

1424. Julien Racine; Denis Hagebaum‐Reignier; Yannick Carissan; Stéphane Humbel, Recasting wave functions into valence bond structures: A simple projection method to describe excited states. Journal of Computational Chemistry 2016, 37(8), 771-779.

1425. Xuhui Lin; Zhenhua Chen; Wei Wu, The driving force for Π-bond localization and bond alternation in trisannelated benzenes. Physical Chemistry Chemical Physics 2016, 19(4), 3019-3027.

1426. Christian Seitz; Huaiyu Zhang; Yirong Mo; Joel M. Karty, Why Do Enolate Anions Favor O-Alkylation over C-Alkylation in the Gas Phase? The Roles of Resonance and Inductive Effects in the Gas-Phase SN2 Reaction between the Acetaldehyde Enolate Anion and Methyl Fluoride. The Journal of Organic Chemistry 2016, 81(9), 3711-3719.

1427. Goar Sánchez‐Sanz; Cristina Trujillo; Ibón Alkorta, Structure, binding energy and chiral discrimination in oxathiirane homodimers. Computational and Theoretical Chemistry 2016. 171-179.

1428. Brian J. Duke; Remco W. A. Havenith, Implications of the complete basis set limit in valence bond theory: a case study of molecular hydrogen. Theoretical Chemistry Accounts 2016, 135(3).

1429. Subhojyoti Chatterjee; Feng Wang, How different is pyrimidine as a core component of DNA base from its diazine isomers: A DFT study?. International Journal of Quantum Chemistry 2016, 116(24), 1836-1845.

1430. Yirong Mo; Huaiyu Zhang; Peifeng Su; Peter D. Jarowski; Wei Wu, Intramolecular multi-bond strain: the unrecognized side of the dichotomy of conjugated systems. Chemical Science 2016, 7(9), 5872-5878.

1431. Mehdi D. Esrafili; Hossein Akhgarpour, Anab initiostudy on competition between pnicogen and chalcogen bond interactions in binary XHS:PH2X complexes (X = F, Cl, CCH, COH, CH3, OH, OCH3and NH2). Molecular Physics 2016, 114(12), 1847-1855.

1432. Yuanxin Wei; Qingzhong Li; Wenzuo Li; Jianbo Cheng; Sean A. C. McDowell, Influence of the protonation of pyridine nitrogen on pnicogen bonding: competition and cooperativity. Physical Chemistry Chemical Physics 2016, 18(16), 11348-11356.

1433. Mohammad Solimannejad; Fatemeh Mohammadian; Mehdi D. Esrafili, Microsolvation of NO2 + in Helium: An Ab Initio Study on NO2 + -Hen Clusters (n ≤ 7). Physical chemistry research 2016, 4(1), 109-117.

1434. Robert Zaleśny; Marc Garcia‐Borràs; Robert W. Góra; Miroslav Medveď; Josep M. Luis, On the physical origins of interaction-induced vibrational (hyper)polarizabilities. Physical Chemistry Chemical Physics 2016, 18(32), 22467-22477.

1435. Sahar Abdalla; Reinhold F. Fink, Analyzing Interaction Energy of Polycyclic Aromatic Hydrocarbons (PAH) Dimers. Springer eBooks 2016. 113-126.

1436. Akshay Hemant Raut; Ginny Karir; K. S. Viswanathan, Matrix Isolation Infrared and Ab Initio Study of the Interaction of N-Heterocyclic Carbene with Water and Methanol: A Case Study of a Strong Hydrogen Bond. The Journal of Physical Chemistry A 2016, 120(47), 9390-9400.

1437. Xuhui Lin; Zhenhua Chen; Wei Wu, The driving force for Π-bond localization and bond alternation in trisannelated benzenes. Physical Chemistry Chemical Physics 2016, 19(4), 3019-3027.

1438. David Danovich; Sason Shaik, On the Nature of Bonding in Parallel Spins in Monovalent Metal Clusters. Annual Review of Physical Chemistry 2016, 67(1), 419-439.

1439. Basil M. Ahmed; Huaiyu Zhang; Yirong Mo; Gellert Mezei, Drastic Deprotonation Reactivity Difference of 3- and 5-Alkylpyrazole Isomers, Their I2-Catalyzed Thermal Isomerization, and Telescoping Synthesis of 3,5-Dialkylpyrazoles: The “Adjacent Lone Pair Effect” Demystified. The Journal of Organic Chemistry 2016, 81(4), 1718-1722.

1440. Xiping Gong; Zhenhua Chen; Wei Wu, The application of cholesky decomposition in valence bond calculation. Journal of Computational Chemistry 2016, 37(23), 2157-2162.