601. Pilar de Lara-Castells, M.; Stoll, H.; Mitrushchenkov, A. O, Assessing the Performance of Dispersionless and Dispersion-Accounting Methods: Helium Interaction with Cluster Models of the TiO2(110) Surface. Journal of Physical Chemistry A 2014, 118(33), 6367-6384.

602. Pilar de Lara-Castells, M.; Stoll, H.; Civalleri, B.; Causa, M.; Voloshina, E.; Mitrushchenkov, A. O.; Pi, M, Communication: A combined periodic density functional and incremental wave-function-based approach for the dispersion-accounting time-resolved dynamics of He-4 nanodroplets on surfaces: He-4/graphene. Journal of Chemical Physics 2014, 141(15).

603. Pandiyan, B. V.; Deepa, P.; Kolandaivel, P, On the nature of non-covalent interactions in isomers of 2,5-dichloro-1,4-benzoquinone dimers - ground- and excited-state properties. Physical Chemistry Chemical Physics 2014, 16(37), 19928-19940.

604. Pan, S.; Moreno, D.; Merino, G.; Chattaraj, P. K, Stability of Noble-Gas-Bound SiH3+ Clusters. Chemphyschem 2014, 15(16), 3554-3564.

605. Pan, S.; Moreno, D.; Luis Cabellos, J.; Romero, J.; Reyes, A.; Merino, G.; Chattaraj, P. K, In Quest of Strong Be-Ng Bonds among the Neutral Ng-Be Complexes. Journal of Physical Chemistry A 2014, 118(2), 487-494.

606. Pan, S.; Moreno, D.; Luis Cabellos, J.; Merino, G.; Chattaraj, P. K, Ab Initio Study on the Stability of Ng(n)Be(2)N(2), Ng(n)Be(3)N(2) and NgBeSiN(2) Clusters. Chemphyschem 2014, 15(12), 2618-2625.

607. Mykolayivna-Lemishko, K.; Merced Montero-Campillo, M.; Mo, O.; Yanez, M, Behavior of Carboxylic Acids upon Complexation with Beryllium Compounds. Journal of Physical Chemistry A 2014, 118(30), 5720-5726.

608. Mondelli, M. A.; Graminha, A. E.; Correa, R. S.; da Silva, M. M.; Carnizello, A. P.; Von Poelhsitz, G.; Ellena, J.; Deflon, V. M.; Caramori, G. F.; Torre, M. H.; Tavares, D. C.; Batista, A. A, Ruthenium(II)/4,6-dimethyl-2-mercaptopyrimidine complexes: Synthesis, characterization, X-ray structures and in vitro cytotoxicity activities on cancer cell lines. Polyhedron 2014. 312-318.

609. Molina, E. F.; Parreira, R. L. T.; De Faria, E. H.; de Carvalho, H. W. P.; Caramori, G. F.; Coimbra, D. F.; Nassar, E. J.; Ciuffi, K. J, Ureasil-Poly(ethylene oxide) Hybrid Matrix for Selective Adsorption and Separation of Dyes from Water. Langmuir 2014, 30(13), 3857-3868.

610. Miguel Azofra, L.; Alkorta, I.; Scheiner, S, Strongly bound noncovalent (SO3)(n):H2CO complexes (n=1, 2). Physical Chemistry Chemical Physics 2014, 16(35), 18974-18981.

611. Miguel Azofra, L.; Alkorta, I.; Scheiner, S, An exploration of the ozone dimer potential energy surface. Journal of Chemical Physics 2014, 140(24).

612. Mendoza Huizar, L. H.; Rios-Reyes, C. H.; Garcia Sanchez, E, A theoretical study of the intermolecular interactions in the p-azoxyanisole liquid crystal. Journal of Molecular Liquids 2014. 530-537.

613. Ma, L.; Huang, Z.; Niu, X.; Zhang, B.; Wang, Q, Theoretical study on the selectivity of the insertion xenon atom into hypohalous acids. Inorganica Chimica Acta 2014. 210-216.

614. Ma, F.; Li, A, A computational study of pnicogen hydride interaction in complexes XH2P. . .HBeY. Computational and Theoretical Chemistry 2014. 78-85.

615. Lo, R.; Ganguly, B, Exploiting Weak Noncovalent Cation ... pi Interaction for Designing a Molecular Container for Storage of Methane Molecules with Lithiated Carbene Superbases. Journal of Physical Chemistry C 2014, 118(13), 6680-6689.

616. Li, Z.-F.; Yang, X.-P.; Li, H.-X.; Guo, Z, Electronic Structure of Gold Carbonyl Compounds RAuL (R = CF3, BO, Br, Cl, CH3, HCC, Mes(3)P, SIDipp; L = CO, N-2, BO) and Origins of Aurophilic Interactions in the Clusters RAuL (n) (n=2-4): A Theoretical Study. Organometallics 2014, 33(19), 5101-5110.

617. Li, Z.-F.; Li, H.-X.; Yang, X.-P, The mutual interactions based on amphipathic tetraoxacalix 2 arene 2 triazine: recognition cases of anion and cation investigated by a computational study. Physical Chemistry Chemical Physics 2014, 16(47), 25876-25882.

618. Li, Z.; Yang, X.; DeYonker, N. J.; Xu, X.; Guo, Z.; Zhao, C, Binding energies and interaction origins between nonclassical single-electron hydrogen, sodium and lithium bonds and neutral boron-containing radicals: a theoretical investigation. Chinese Science Bulletin 2014, 59(21), 2597-2607.

619. Leonis, G.; Avramopoulos, A.; Salmas, R. E.; Durdagi, S.; Yurtsever, M.; Papadopoulos, M. G, Elucidation of Conformational States, Dynamics, and Mechanism of Binding in Human kappa-Opioid Receptor Complexes. Journal of Chemical Information and Modeling 2014, 54(8), 2294-2308.

620. Lalitha, M.; Senthilkumar, L, DFT study on X-center dot(H2O)(n=1-10) (X=OH, NO2, NO3, CO3) anionic water cluster. Journal of Molecular Graphics & Modelling 2014. 148-163.