| 1 |
A DFT study on NO reduction to N2O using Al- and P-doped hexagonal boron nitride nanosheets
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JOURNAL OF MOLECULAR GRAPHICS & MODELLING
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| 2 |
A comparative DFT study on single-atom catalysis of CO oxidation over Al- and P-embedded hexagonal boron-nitride nanosheets
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JOURNAL OF MOLECULAR GRAPHICS & MODELLING
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| 3 |
Exploring different reaction mechanisms for oxidation of CO over a single Pd atom incorporated nitrogen-doped graphene: A DFT study
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APPLIED SURFACE SCIENCE
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| 4 |
A Single Pd Atom Stabilized on Boron-Vacancy of h-BN Nanosheet: A Promising Catalyst for CO Oxidation
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CHEMISTRYSELECT
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| 5 |
Exploring hydride-π interactions and their tuning by σ-hole bonds: an ab initio study
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MOLECULAR PHYSICS
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| 6 |
Anionic tetrel bonds: An ab initio study
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Chemical Physics Letters
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| 7 |
The enhancing effect of a cation-π interaction on the cooperativity of halogen bonds: A computational study
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JOURNAL OF MOLECULAR GRAPHICS & MODELLING
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| 8 |
An ab initio study on properties of cationic chalcogen bonds in XF2Y+···NCZ (X=H, CN, F; Y= S, Se; Z=H, Cl, Br) complexes
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Journal of Sulfur Chemistry
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| 9 |
Competition between chalcogen bond and halogen bond interactions in YOX4:NH3 (Y = S, Se; X=F, Cl, Br) complexes: An ab initio investigation
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Structural Chemistry
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| 10 |
Strengthening of the halogen-bonding by an aerogen bond interaction Substitution and cooperative effects in O3Z···NCX···NCY (Z= Kr, Xe; X = Cl, Br, I; Y=H, F, OH) complexes
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MOLECULAR PHYSICS
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| 11 |
The mutual influence of Y···N and H···H interactions in XHY···NCH···HM complexes (X = F, Cl, Br; Y = S, Se; M = Li, Na, BeH, MgH): tuning of the chalcogen bond by dihydrogen bond interaction
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CANADIAN JOURNAL OF CHEMISTRY
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| 12 |
Investigation of Substituent Effects in Aerogen-Bonding Interaction Between ZO 3 (Z5Kr, Xe) and Nitrogen Bases
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International Journal of Quantum Chemistry
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| 13 |
Cationic P•••N interaction in XH3P+•••NCY complexes (X=H, F, CN, NH2, OH; Y=H, Li, F, Cl) and its cooperativity with hydrogen/lithium/halogen bonds
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JOURNAL OF MOLECULAR GRAPHICS & MODELLING
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