501. Gao, M.; Li, Q.; Cheng, J.; Li, W.; Li, H.-B, Complicated synergistic effects between metal-pi interaction and halogen bonding involving MCCX. Rsc Advances 2015, 5(127), 105160-105168.

502. Gao, M.; Gao, G.; Li, Q.; Yang, X.; Li, W.; Cheng, J, Theoretical study of synergistic effects between anion-pi and metal-Lp interactions. Rsc Advances 2015, 5(94), 76912-76918.

503. Gao, M.; Cheng, J.; Yang, X.; Li, W.; Xiao, B.; Li, Q, Influence of substituents on the nature of metal center dot center dot center dot pi interaction and its cooperativity with halogen bond. Journal of Chemical Physics 2015, 143(5).

504. Fang, Y.; Li, A. Y.; Ma, F. Y, A comparative study of the chalcogen bond, halogen bond and hydrogen bond S center dot center dot center dot O/Cl/H formed between SHX and HOCl. Journal of Molecular Modeling 2015, 21(3).

505. Esrafili, M. D.; Saeidi, N.; Baneshi, M. M, Chalcogen-Chalcogen Interactions in Furan-YHX and Thiophene-YHX Complexes (X = F, Cl, Br; Y = S, Se): An Ab Initio Study. Bulletin of the Chemical Society of Japan 2015, 88(12), 1683-1692.

506. Esrafili, M. D.; Nurazar, R.; Mohammadian-Sabet, F, Cooperative effects between tetrel bond and other s- hole bond interactions: a comparative investigation. Molecular Physics 2015, 113(23), 3703-3711.

507. Esrafili, M. D.; Mohammadirad, N.; Solimannejad, M, Tetrel bond cooperativity in open-chain (CH3CN)(n) and (CH3NC)(n) clusters (n=2-7): An ab initio study. Chemical Physics Letters 2015. 16-20.

508. Esrafili, M. D.; Mohammadirad, N, Substituent effects in cooperativity of chalcogen bonds. Molecular Physics 2015, 113(21), 3282-3290.

509. Esrafili, M. D.; Mohammadian-Sabet, F.; Baneshi, M. M, The Dual Role of Halogen, Chalcogen, and Pnictogen Atoms as Lewis Acid and Base: Triangular XBr: SHX: PH2X Complexes (X=F, Cl, Br, CN, NC, OH, NH2, and OCH3). International Journal of Quantum Chemistry 2015, 115(22), 1580-1586.

510. Esrafili, M. D.; Mohammadian-Sabet, F, Enhancement effect of lithium bonding on the strength of pi-hole interactions in O2S center dot center dot center dot NCLi center dot center dot center dot NCX and O2S center dot center dot center dot CNLi center dot center dot center dot CNX complexes (X = H, F, CN, OH and CH3). Molecular Physics 2015, 113(1), 95-103.

511. Esrafili, M. D.; Mohammadian-Sabet, F, Ab initio calculations of cooperativity effects on chalcogen bonding: linear clusters of (OCS)(2-8) and (OCSe)(2-8). Structural Chemistry 2015, 26(1), 199-206.

512. Esrafili, M. D.; Mohammadian-Sabet, F, Exploring sigma-hole bonding in XH3Si center dot center dot center dot HMY (X=H, F, CN; M=Be, Mg; Y=H, F, CH3) complexes: a "tetrel-hydride" interaction. Journal of Molecular Modeling 2015, 21(3).

513. Esrafili, M. D.; Mohammadian-Sabet, F, Does single-electron chalcogen bond exist? Some theoretical insights. Journal of Molecular Modeling 2015, 21(3).

514. Esrafili, M. D.; Mohammadian-Sabet, F, An ab initio study on chalcogen-chalcogen bond interactions in cyclic (SHX)(3) complexes (X = F, Cl, CN, NC, CCH, OH, OCH3, NH2). Chemical Physics Letters 2015. 71-75.

515. Esrafili, M. D.; Mohammadian-Sabet, F, Prediction and characterisation of a chalcogen center dot center dot center dot pi interaction with acetylene as a potential electron donor in XHS center dot center dot center dot HCCH and XHSe center dot center dot center dot HCCH (X = F, Cl, Br, CN, OH, OCH3, NH2, CH3) sigma-hole complexes. Molecular Physics 2015, 113(22), 3559-3566.

516. Ebrahimi, Z. F.; Esrafili, M. D.; Vessally, E, Cooperative interaction between hydrogen bond and N center dot center dot center dot Y interactions (Y = H, Li, F, Cl, and Br): a comparative study. Canadian Journal of Chemistry 2015, 93(6), 626-631.

517. Duarte, D. J. R.; Peruchena, N. M.; Alkorta, I, Double Hole-Lump Interaction between Halogen Atoms. Journal of Physical Chemistry A 2015, 119(16), 3746-3752.

518. Dong, H.; Li, W.; Sun, J.; Li, S.; Klein, M. L, Understanding the Boron-Nitrogen Interaction and Its Possible Implications in Drug Design. Journal of Physical Chemistry B 2015, 119(45), 14393-14401.

519. Desai, M. L.; Si, M. K.; Lo, R.; Ganguly, B, Probing the selective separation of potassium ion from sodium ion with cyclopentadienyl anion as receptor: a computational study. Journal of Molecular Modeling 2015, 21(8).

520. Dancini-Pontes, I.; Fernandes-Machado, N. R. C.; de Souza, M.; Pontes, R. M, Insights into ethanol decomposition over Pt: A DFT energy decomposition analysis for the reaction mechanism leading to C2H6 and CH4. Applied Catalysis a-General 2015. 86-93.