1761. 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.

1762. Padeleimon Karafiloglou; Katerina Kyriakidou, Unpaired electrons at the second‐order reduced density matrix level: Covalent bonding, and coulomb and fermi correlations in closed shell systems. International Journal of Quantum Chemistry 2013, 113(13), 1775-1786.

1763. David Danovich; Sason Shaik, Bonding with Parallel Spins: High-Spin Clusters of Monovalent Metal Atoms. Accounts of Chemical Research 2013, 47(2), 417-426.

1764. Jie Xu; Lin Xu; Mingbiao Xu; Zhao Lin; Xiaoming Wu; Shou‐chen Wen; Wei‐hong Liu, Theoretical analyses of the host–guest interaction within chlorine hydrate. International Journal of Quantum Chemistry 2013, 113(19), 2228-2233.

1765. 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.

1766. Mehdi D. Esrafili; Mohammad Solimannejad, On the strength and nature of intermolecular X···O interactions in CF2ClBr−O3 complexes (X = F, Cl, Br): an ab initio investigation. Canadian Journal of Chemistry 2013, 92(1), 33-39.

1767. Lingling Ma; Zhengguo Huang; Xiqian Niu; Tingting Shen; Lingfei Guo, A theoretical study on the hydrogen bonding interactions in HXeCCH⋯Y (Y=H2O and HF) complexes. Computational and Theoretical Chemistry 2013. 14-21.

1768. Leonardo Moreira da Costa; Gláucio B. Ferreira; José Walkimar de M. Carneiro, DFT studies of imino and thiocarbonyl ligands with the pentaaqua Mg2+ cation: affinity and associated parameters. Journal of Molecular Modeling 2013, 19(6), 2669-2677.

1769. Richard D. Harcourt, Notes on Valence Bond Structures for S2N2 and Related Systems. ChemPhysChem 2013, 14(12), 2859-2864.

1770. 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.

1771. C. Z. Hadad; Albeiro Restrepo; Samantha Jenkins; Frank Ramírez; Jorge David, Hydrophobic meddling in small water clusters. Theoretical Chemistry Accounts 2013, 132(8).

1772. Mehdi D. Esrafili; Fariba Mohammadian‐Sabet; Parvin Esmailpour, Theoretical study on cooperative effects between X⋯N and X⋯Carbene halogen bonds (X = F,Cl,Br and I). Journal of Molecular Modeling 2013, 19(11), 4797-4804.

1773. Sudip Pan; Maryel Contreras; Jonathan Romero; Andrés Reyes; Pratim Kumar Chattaraj; Gabriel Merino, C5Li7+ and O2Li5+ as Noble‐Gas‐Trapping Agents. Chemistry - A European Journal 2013, 19(7), 2322-2329.

1774. Jean‐Pierre Dognon, Theoretical insights into the chemical bonding in actinide complexes. Coordination Chemistry Reviews 2013. 110-122.

1775. Santosh K. Singh; Sumit Kumar; Aloke Das, Competition between n → πAr* and conventional hydrogen bonding (N–H⋯N) interactions: an ab initio study of the complexes of 7-azaindole and fluorosubstituted pyridines. Physical Chemistry Chemical Physics 2013, 16(19), 8819-8827.

1776. 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.

1777. Mehdi D. Esraili; Fariba Mohammadian‐Sabet; Parvin Esmailpour; Mohammad Solimannejad, Cooperativity between fluorine-centered halogen bonds: investigation of substituent effects. Journal of Molecular Modeling 2013, 19(12), 5625-5632.

1778. Ozan Karaltı; Xiaoge Su; W. A. Al-Saidi; Kenneth D. Jordan, Correcting density functionals for dispersion interactions using pseudopotentials. Chemical Physics Letters 2013. 133-136.

1779. Mehdi D. Esrafili; Parvin Esmailpour; Fariba Mohammadian‐Sabet; Mohammad Solimannejad, Substituent effects on cooperativity between lithium bonds. International Journal of Quantum Chemistry 2013, 114(4), 295-301.

1780. Selami Beyhan; Andreas W. Götz; Lucas Visscher, Bond energy decomposition analysis for subsystem density functional theory. The Journal of Chemical Physics 2013, 138(9).