1341. Mario Piris*; Jon M. Matxain; Xabier López; Jesús M. Ugalde, The one-electron picture in the Piris natural orbital functional 5 (PNOF5). Highlights in theoretical chemistry 2013. 5-15.

1342. Paul R. Horn; Eric J. Sundstrom; Thomas A. Baker; Martin Head‐Gordon, Unrestricted absolutely localized molecular orbitals for energy decomposition analysis: Theory and applications to intermolecular interactions involving radicals. The Journal of Chemical Physics 2013, 138(13).

1343. Mario Piris; Jon M. Matxain; Xabier López; Jesús M. Ugalde, The one-electron picture in the Piris natural orbital functional 5 (PNOF5). Theoretical Chemistry Accounts 2013, 132(2).

1344. WanZhen Liang; Wei Wu, Theory and algorithms for the excited states of large molecules and molecular aggregates. Science China Chemistry 2013, 56(9), 1267-1270.

1345. Richard D. Harcourt*, Notes on Valence Bond Structures for S2N2 and Related Systems. ChemPhysChem 2013, 14(12), 2859-2864.

1346. Mehdi D. Esrafili; Saleh Shahabivand, A theoretical evidence for cooperativity effects in fluorine-centered halogen bonds: linear (FCN)2–7 and (FNC)2–7 clusters. Structural Chemistry 2013, 25(2), 403-408.

1347. Mehdi D. Esrafili; Mohammad Solimannejad, Revealing substitution effects on the strength and nature of halogen-hydride interactions: a theoretical study. Journal of Molecular Modeling 2013, 19(9), 3767-3777.

1348. Mehdi D. Esrafili; Nafiseh Mohammadirad, Insights into the strength and nature of carbene···halogen bond interactions: a theoretical perspective. Journal of Molecular Modeling 2013, 19(6), 2559-2566.

1349. Xiqian Niu; Zhengguo Huang; Lingling Ma; Tingting Shen; Lingfei Guo, Density functional theory, natural bond orbital and quantum theory of atoms in molecule analyses on the hydrogen bonding interactions in tryptophan-water complexes. Journal of Chemical Sciences 2013, 125(4), 949-958.

1350. Richard Julian Azar; Paul R. Horn; Eric J. Sundstrom; Martin Head‐Gordon, Useful lower limits to polarization contributions to intermolecular interactions using a minimal basis of localized orthogonal orbitals: Theory and analysis of the water dimer. The Journal of Chemical Physics 2013, 138(8).

1351. Dandamudi Usharani; David C. Lacy; A. S. Borovik; Sason Shaik, Dichotomous Hydrogen Atom Transfer vs Proton-Coupled Electron Transfer During Activation of X–H Bonds (X = C, N, O) by Nonheme Iron–Oxo Complexes of Variable Basicity. Journal of the American Chemical Society 2013, 135(45), 17090-17104.

1352. Emma Ahlstrand; Daniel Spångberg; Kersti Hermansson; Ran Friedman*, Interaction energies between metal ions (Zn2+ and Cd2+ ) and biologically relevant ligands. International Journal of Quantum Chemistry 2013, 113(23), 2554-2562.

1353. Zhenhua Chen; Yirong Mo, Electron Transfer in Electrophilic Aromatic Nitration and Nitrosation: Computational Evidence for the Marcus Inverted Region. Journal of Chemical Theory and Computation 2013, 9(10), 4428-4435.

1354. Milind M. Deshmukh; Masaaki Ohba; Susumu Kitagawa; Shigeyoshi Sakaki, Absorption of CO2 and CS2 into the Hofmann-Type Porous Coordination Polymer: Electrostatic versus Dispersion Interactions. Journal of the American Chemical Society 2013, 135(12), 4840-4849.

1355. Benoı̂t Braı̈da; Kevin Hendrickx; Dominik Domin; Joseph P. Dinnocenzo; Philippe C. Hiberty, Multicenter Bonding in Ditetracyanoethylene Dianion: A Simple Aromatic Picture in Terms of Three-Electron Bonds. Journal of Chemical Theory and Computation 2013, 9(5), 2276-2285.

1356. E Coulaud; Jean‐Paul Malrieu; Nathalie Guihéry; Nicolas Ferré, Additive Decomposition of the Physical Components of the Magnetic Coupling from Broken Symmetry Density Functional Theory Calculations. Journal of Chemical Theory and Computation 2013, 9(8), 3429-3436.

1357. Peifeng Su; Hui Liu; Wei Wu, Free energy decomposition analysis of bonding and nonbonding interactions in solution. The Journal of Chemical Physics 2012, 137(3).

1358. Judy I. Wu; Israel Fernández; Yirong Mo; Paul von Ragué Schleyer, Why Cyclooctatetraene Is Highly Stabilized: The Importance of “Two-Way” (Double) Hyperconjugation. Journal of Chemical Theory and Computation 2012, 8(4), 1280-1287.

1359. Romain Ramozzi; Nicolas Chéron; Benoı̂t Braı̈da; Philippe C. Hiberty; Paul Fleurat‐Lessard, A valence bond view of isocyanides' electronic structure. New Journal of Chemistry 2012, 36(5), 1137-1137.

1360. Jorge A. Carrazana‐García; Jesús Rodríguez‐Otero; Enrique M. Cabaleiro‐Lago, A Computational Study of Anion-Modulated Cation−π Interactions. The Journal of Physical Chemistry B 2012, 116(20), 5860-5871.