661. Baranac-Stojanovic, M, Gauche preference in 1,2-difluoroethane originates from both orbital and electrostatic stabilization interactions. Rsc Advances 2014, 4(83), 43834-43838.

662. Baranac-Stojanovic, M, Aromaticity and Stability of Azaborines. Chemistry-a European Journal 2014, 20(50), 16558-16565.

663. Baishya, A.; Mundlapati, V. R.; Nembenna, S.; Biswal, H. S, Structure, bonding and energetics of N-heterocyclic carbene (NHC) stabilized low oxidation state group 2 (Be, Mg, Ca, Sr and Ba) metal complexes: A theoretical study. Journal of Chemical Sciences 2014, 126(6), 1781-1788.

664. Andriani, K. F.; Caramori, G. F.; Doro, F. G.; Tame Parreira, R. L, Ru-NO and Ru-NO2 bonding linkage isomerism in cis- Ru(NO)(NO)(bpy)(2) (2+/+) complexes - a theoretical insight. Dalton Transactions 2014, 43(23), 8792-8804.

665. Alkorta, I.; Elguero, J.; Solimannejad, M, Single Electron Pnicogen Bonded Complexes. Journal of Physical Chemistry A 2014, 118(5), 947-953.

666. Zhang, H.; Danovich, D.; Wu, W.; Braida, B.; Hiberty, P. C.; Shaik, S, Charge-Shift Bonding Emerges as a Distinct Electron-Pair Bonding Family from Both Valence Bond and Molecular Orbital Theories. Journal of Chemical Theory and Computation 2014, 10(6), 2410-2418.

667. Wu, W.; Zhang, H.; Braida, B.; Shaik, S.; Hiberty, P. C, The V state of ethylene: valence bond theory takes up the challenge. Theoretical Chemistry Accounts 2014, 133(3).

668. Wu, J. I. C.; Wang, C.; McKee, W. C.; Schleyer, P. v. R.; Wu, W.; Mo, Y, On the large sigma-hyperconjugation in alkanes and alkenes. Journal of Molecular Modeling 2014, 20(6).

669. Wang, C.; Danovich, D.; Mo, Y.; Shaik, S, On The Nature of the Halogen Bond. Journal of Chemical Theory and Computation 2014, 10(9), 3726-3737.

670. Valone, S. M.; Atlas, S. R.; Baskes, M. I, Fragment Hamiltonian model potential for nickel: metallic character and defects in crystalline lattices. Modelling and Simulation in Materials Science and Engineering 2014, 22(4).

671. Wang, C.; Chen, Z.; Wu, W.; Mo, Y, How the Generalized Anomeric Effect Influences the Conformational Preference. Chemistry-a European Journal 2013, 19(4), 1436-1444.

672. Usharani, D.; Lacy, D. C.; Borovik, A. S.; Shaik, S, 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.

673. Su, P.; Wu, W, Ab initio nonorthogonal valence bond methods. Wiley Interdisciplinary Reviews-Computational Molecular Science 2013, 3(1), 56-68.

674. Song, J.; Chen, Z.; Shaik, S.; Wu, W, An efficient algorithm for complete active space valence bond self-consistent field calculation. Journal of Computational Chemistry 2013, 34(1), 38-48.

675. Karafiloglou, P.; Kyriakidou, K, 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.

676. Danovich, D.; Shaik, S.; Neese, F.; Echeverria, J.; Aullon, G.; Alvarez, S, Understanding the Nature of the CH center dot center dot center dot HC Interactions in Alkanes. Journal of Chemical Theory and Computation 2013, 9(4), 1977-1991.

677. Chen, Z.; Chen, X.; Wu, W, 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. Journal of Chemical Physics 2013, 138(16).

678. Braida, B.; Hiberty, P. C, The essential role of charge-shift bonding in hypervalent prototype XeF2. Nature Chemistry 2013, 5(5), 417-422.

679. Braida, B.; Hendrickx, K.; Domin, D.; Dinnocenzo, J. P.; Hiberty, P. C, 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.

680. Yu, F, 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.