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The Journal of Physical Chemistry C 2015,
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Mohammed Althaf Hussain; Yarasi Soujanya; G. Narahari Sastry, Computational Design of Functionalized Imidazolate Linkers of Zeolitic Imidazolate Frameworks for Enhanced CO2 Adsorption.
The Journal of Physical Chemistry C 2015,
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Marco Martínez González; Kenny Bravo‐Rodriguez; Reynier Suardíaz; José M. Garcı́a de la Vega; Luís A. Montero; Elsa Sánchez‐García; Rachel Crespo‐Otero, Complexes of nitric oxide with water and imidazole.
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Hongying Zhuo; Qingzhong Li; Wenzuo Li; Jianbo Cheng, The dual role of pnicogen as Lewis acid and base and the unexpected interplay between the pnicogen bond and coordination interaction in H3N⋯FH2X⋯MCN (X = P and As; M = Cu, Ag, and Au).
New Journal of Chemistry 2015,
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Qingzhong Li; Hai‐Bei Li, Hydrogen Bonds Involving Radical Species.
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1086.
Meng Gao; Qingzhong Li; Hai‐Bei Li; Wenzuo Li; Jianbo Cheng, How do organic gold compounds and organic halogen molecules interact? Comparison with hydrogen bonds.
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Mehdi D. Esrafili; Fariba Mohammadian‐Sabet; Mohammad Mehdi Baneshi, 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,
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Meng Gao; Jianbo Cheng; Xin Yang; Wenzuo Li; Bo Xiao; Qingzhong Li, Influence of substituents on the nature of metal⋯π interaction and its cooperativity with halogen bond.
The Journal of Chemical Physics 2015,
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Marc Raupach; Ralf Tonner, A periodic energy decomposition analysis method for the investigation of chemical bonding in extended systems.
The Journal of Chemical Physics 2015,
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1090.
Mehdi D. Esrafili; Roghaye Nurazar; Fariba Mohammadian‐Sabet, Cooperative effects between tetrel bond and other σ–hole bond interactions: a comparative investigation.
Molecular Physics 2015,
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María Pilar de Lara‐Castells; Alexander O. Mitrushchenkov; Hermann Stoll, Combining density functional and incremental post-Hartree-Fock approaches for van der Waals dominated adsorbate-surface interactions: Ag2/graphene.
The Journal of Chemical Physics 2015,
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Mehdi D. Esrafili; Nasibeh Saeidi; Mohammad Mehdi Baneshi, 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,
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Marcos Vinicius Monsores Meuser; Daniel Garcez Santos Quattrociocchi; Leonardo Moreira da Costa; Gláucio B. Ferreira; José Walkimar de M. Carneiro, Computational study of the interaction between the [Pb(H2O)3]2+ cation and ligands containing oxygen, nitrogen and sulfur donor atoms.
Polyhedron 2015.
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E. Bustelo; Artem L. Gushchin; M. Jesús Fernández‐Trujillo; Manuel G. Basallote*; Andrés G. Algarra*, On the Critical Effect of the Metal (Mo vs. W) on the [3+2] Cycloaddition Reaction of M3S4 Clusters with Alkynes: Insights from Experiment and Theory.
Chemistry - A European Journal 2015,
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Xin Guo; Qingzhong Li; Bo Xiao; Xin Yang; Wenzuo Li; Jianbo Cheng, Influence of F and Se substitution on the structures, stabilities and nature of the complexes between F2CSe and HOX (X = F, Cl, Br, and I).
RSC Advances 2015,
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1097.
Mohammed Althaf Hussain; Dolly Vijay; G. Narahari Sastry, Buckybowls as adsorbents for CO2, CH4, and C2H2: Binding and structural insights from computational study.
Journal of Computational Chemistry 2015,
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1098.
Prasenjit Pandey*, Evidence of blue-shifting N–H⋯N hydrogen bonding despite elongation of the N–H bond.
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Sason Shaik; David Danovich; Benoı̂t Braı̈da; Wei Wu; Philippe C. Hiberty*, New Landscape of Electron-Pair Bonding: Covalent, Ionic, and Charge-Shift Bonds.
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The Journal of Chemical Physics 2015,
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