1401. Dan Yu; Di Wu; Ying Li; Siyi Li, On the formation of beryllium bonds where radicals act as electron donors. Theoretical Chemistry Accounts 2016, 135(4).

1402. В. А. Савельев, Theoretical study of the interaction in HCCH...X– (X = F, Cl, Br, I) hydrogen-bonded anion–molecule complexes and calculation of the complex formation energy within an electrostatic model. Russian Journal of Physical Chemistry B 2016, 10(3), 360-370.

1403. Israel Fernández; Fernando P. Cossío, Interplay between aromaticity and strain in double group transfer reactions to 1,2-benzyne. Journal of Computational Chemistry 2016, 37(14), 1265-1273.

1404. Hailiang Zhao; Shanshan Tang; Xiang Xu; Lin Du, Hydrogen Bonding Interaction between Atmospheric Gaseous Amides and Methanol. International Journal of Molecular Sciences 2016, 18(1), 4-4.

1405. Panpan Zhou; Xing Yang; Da‐Gang Zhou; Shubin Liu, T-shaped phenol–benzene complexation driven by π-involved noncovalent interactions. Theoretical Chemistry Accounts 2016, 135(4).

1406. Kiamars Eskandari, Nature of beryllium bonds in view of interacting quantum atoms and natural energy decomposition analysis. Computational and Theoretical Chemistry 2016. 74-79.

1407. Felipe de S. Vilhena; José Walkimar de M. Carneiro, Reactivity and regioselectivity in reactions of methyl and ethyl azides with cyclooctynes: activation strain model and energy decomposition analysis. Journal of Molecular Modeling 2016, 23(1).

1408. Quanchao Wei; Qingzhong Li; Jianbo Cheng; Wenzuo Li; Hai‐Bei Li, Comparison of tetrel bonds and halogen bonds in complexes of DMSO with ZF3X (Z = C and Si; X = halogen). RSC Advances 2016, 6(82), 79245-79253.

1409. 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.

1410. Cameron H. W. Kelly; Matthias Lein, Choosing the right precursor for thermal decomposition solution-phase synthesis of iron nanoparticles: tunable dissociation energies of ferrocene derivatives. Physical Chemistry Chemical Physics 2016, 18(47), 32448-32457.

1411. Xing Yang; Chaoxian Yan; Da‐Gang Zhou; Fan Yang; Panpan Zhou, Cooperative halogen bonds in V-shaped H3N·X1X2·X3Y (X1, X2, X3 = Cl and Br; Y = F, Cl and Br) complexes. RSC Advances 2016, 6(108), 106285-106296.

1412. E. Francisco; José Luis Casals‐Sainz; Tomás Rocha‐Rinza; Ángel Martín Pendás, Partitioning the DFT exchange-correlation energy in line with the interacting quantum atoms approach. Theoretical Chemistry Accounts 2016, 135(7).

1413. Paramita Banerjee; K. R. S. Chandrakumar; G. P. Das, Exploring adsorption and desorption characteristics of molecular hydrogen on neutral and charged Mg nanoclusters: A first principles study. Chemical Physics 2016. 123-131.

1414. Eufrásia S. Pereira; Júlio C. S. Da Silva; Tiago A. S. Brandão; Willian R. Rocha, Phosphorane lifetime and stereo-electronic effects along the alkaline hydrolysis of phosphate esters. Physical Chemistry Chemical Physics 2016, 18(27), 18255-18267.

1415. Hailiang Zhao; Lin Du, Atmospheric implication of the hydrogen bonding interaction in hydrated clusters of HONO and dimethylamine in the nighttime. Environmental Science Processes & Impacts 2016, 19(1), 65-77.

1416. Mehdi Shakourian‐Fard; Ganesh Kamath; Subramanian K. R. S. Sankaranarayanan, Evaluating the Free Energies of Solvation and Electronic Structures of Lithium‐Ion Battery Electrolytes. ChemPhysChem 2016, 17(18), 2916-2930.

1417. Ali Abbaspour Tamijani; A. Salam; María Pilar de Lara‐Castells, Adsorption of Noble-Gas Atoms on the TiO2(110) Surface: An Ab Initio-Assisted Study with van der Waals-Corrected DFT. The Journal of Physical Chemistry C 2016, 120(32), 18126-18139.

1418. Lorenzo Tenti; Daniel Maynau; Celestino Angeli; Carmen J. Calzado, Highly efficient perturbative + variational strategy based on orthogonal valence bond theory for the evaluation of magnetic coupling constants. Application to the trinuclear Cu(ii) site of multicopper oxidases. Physical Chemistry Chemical Physics 2016, 18(27), 18365-18380.

1419. Paul R. Horn; Martin Head‐Gordon, Alternative definitions of the frozen energy in energy decomposition analysis of density functional theory calculations. The Journal of Chemical Physics 2016, 144(8).

1420. Lei Gao; Yanli Zeng; Xueying Zhang; Lingpeng Meng, Comparative studies on group III σ-hole and π-hole interactions. Journal of Computational Chemistry 2016, 37(14), 1321-1327.