1781. Feng Yu, Intermolecular interactions of formic acid with benzene: Energy decomposition analyses with ab initio MP2 and double‐hybrid density functional computations. International Journal of Quantum Chemistry 2013, 113(21), 2355-2360.

1782. 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).

1783. Nandun M. Thellamurege; Hajime Hirao, Water Complexes of Cytochrome P450: Insights from Energy Decomposition Analysis. Molecules 2013, 18(6), 6782-6791.

1784. Mandy C. Green; Dmitri G. Fedorov; Kazuo Kitaura; Joseph S. Francisco; Lyudmila V. Slipchenko, Open-shell pair interaction energy decomposition analysis (PIEDA): Formulation and application to the hydrogen abstraction in tripeptides. The Journal of Chemical Physics 2013, 138(7).

1785. Mehdi D. Esrafili; Parvin Esmailpour; Fariba Mohammadian‐Sabet; Mohammad Solimannejad, Theoretical study of the interplay between halogen bond and lithium–π interactions: Cooperative and diminutive effects. Chemical Physics Letters 2013. 47-50.

1786. Mohammad Solimannejad; Saber Ghafari Nikoo Jooneghani; Mehdi D. Esrafili, Theoretical insight into cooperativity in lithium-bonded complexes: Linear clusters of LiCN and LiNC. Chemical Physics Letters 2013. 6-10.

1787. Zhenhua Chen; Xun Chen; Wei Wu, Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. II. An efficient algorithm for matrix elements and analytical energy gradients in VBSCF method. The Journal of Chemical Physics 2013, 138(16).

1788. Zhenhua Chen; Xun Chen; Wei Wu, Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. I. Hamiltonian matrix elements between internally contracted excited valence bond wave functions. The Journal of Chemical Physics 2013, 138(16).

1789. 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.

1790. 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.

1791. Mehdi D. Esrafili; Saleh Shahabivand; Esmail Vessally, HRgCN and HRgNC as halogen bond acceptors (Rg=Kr and Xe): A theoretical study upon strength and nature of halogen⋯nitrogen and halogen⋯carbon interactions. Computational and Theoretical Chemistry 2013. 1-6.

1792. Mehdi D. Esrafili; Hadi Behzadi, Investigation into the nature of interactions in aspirin–water clusters including SAPT, AIM and NBO theories. Molecular Simulation 2013, 39(8), 629-639.

1793. Zhenhua Chen; Clémence Corminbœuf; Yirong Mo, Direct Evaluation of the Hyperconjugative Interactions in 1,1,1-Trihaloethane (CH3CX3, X = F, Cl, and Br). The Journal of Physical Chemistry A 2013, 118(31), 5743-5747.

1794. 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.

1795. Marek Graff; Ján Cz. Dobrowolski, On tautomerism of diazinones. Computational and Theoretical Chemistry 2013. 55-64.

1796. Alfredo Lopéz; Giovanni F. Caramori; Daniel F. Coimbra; Renato L. T. Parreira; Éder H. da Silva, The Two Faces of Hydrogen‐Bond Strength on Triple AAA–DDD Arrays. ChemPhysChem 2013, 14(17), 3994-4001.

1797. David Danovich; Sason Shaik; Frank Neese; Jorge Echeverría; Gabriel Aullón; Santiago Álvarez, Understanding the Nature of the CH···HC Interactions in Alkanes. Journal of Chemical Theory and Computation 2013, 9(4), 1977-1991.

1798. Benoı̂t Braı̈da; Philippe C. Hiberty, The essential role of charge-shift bonding in hypervalent prototype XeF2. Nature Chemistry 2013, 5(5), 417-422.

1799. Mehdi D. Esrafili; Parisa Juyban; Mohammad Solimannejad, Exploring lithium bonding interactions between noble-gas hydrides HXeY and LiX molecules (Y=H, CN, NC and X=H, CN, NC, OH, NH2, CH3): A theoretical study. Computational and Theoretical Chemistry 2013. 84-90.

1800. Ran Friedman, Structural and computational insights into the versatility of cadmium binding to proteins. Dalton Transactions 2013, 43(7), 2878-2887.