Química Física y Analítica
Departamento
Research Canada
Ottawa, CanadáPublicaciones en colaboración con investigadores/as de Research Canada (31)
2023
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Determination of selenium-containing species, including nanoparticles, in selenium-enriched Lingzhi mushrooms
Analytical and Bioanalytical Chemistry
2022
2020
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Addressing the presence of biogenic selenium nanoparticles in yeast cells: Analytical strategies based on ICP-TQ-MS
Analyst, Vol. 145, Núm. 4, pp. 1457-1465
2016
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A conformational polymorph of Ph3PAu[SC(OEt)=NPh] featuring an intramolecular Au···π interaction
Zeitschrift fur Kristallographie - Crystalline Materials, Vol. 231, Núm. 11, pp. 653-661
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An Introduction to High-Pressure Science and Technology
CRC Press, pp. 1-490
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Exchange-correlation effects for noncovalent interactions in density functional theory
Journal of Chemical Theory and Computation, Vol. 12, Núm. 7, pp. 3160-3175
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Hydrogen bonding in 2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one methanol solvate
Zeitschrift fur Kristallographie - Crystalline Materials, Vol. 231, Núm. 6, pp. 365-374
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Interpretation of molecular device transport calculations
Canadian Journal of Chemistry, Vol. 94, Núm. 12, pp. 1022-1027
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Non-covalently generated 3D supramolecular crystal structure in a new family of hybrid nitrates templated by piperazine: Thermal behavior and in vitro antimicrobial potential
Polyhedron, Vol. 119, pp. 238-247
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Noncovalent Interactions in Density Functional Theory
Reviews in Computational Chemistry (wiley), pp. 1-97
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Persistence of C-H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. the utility of Pd(S2COR)2 as precursors for palladium sulphide materials
CrystEngComm, Vol. 18, Núm. 7, pp. 1105-1117
2015
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(Ag,Cu)-Ta-O Ternaries As High-Temperature Solid-Lubricant Coatings
ACS Applied Materials and Interfaces, Vol. 7, Núm. 28, pp. 15422-15429
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Bipodal benzoylthiocarbamic acid esters: Crystal and molecular structures of R =?Et (a polymorph), and of a binuclear Cu(I) complex, R =?iPr
Zeitschrift fur Kristallographie - Crystalline Materials, Vol. 230, Núm. 6, pp. 397-405
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Chemical bonding and surface interactions in Bi2Se3 and Bi4Se3
Computational and Theoretical Chemistry, Vol. 1053, pp. 238-244
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Guest-host interactions in gas clathrate hydrates under pressure
High Pressure Research, Vol. 35, Núm. 1, pp. 49-56
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Oscillatory motion in layered materials: Graphene, boron nitride, and molybdenum disulfide
Nanotechnology, Vol. 26, Núm. 16
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Predicting Energetics of Supramolecular Systems Using the XDM Dispersion Model
Journal of Chemical Theory and Computation, Vol. 11, Núm. 9, pp. 4033-4040
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The importance of Au ⋯ π(aryl) interactions in the formation of spherical aggregates in binuclear phosphane gold(I) complexes of a bipodal thiocarbamate dianion: A combined crystallographic and computational study, and anti-microbial activity
RSC Advances, Vol. 5, Núm. 52, pp. 41401-41411
2014
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Chemical basis of the tribological properties of AgTaO3 crystal surfaces
Journal of Physical Chemistry C, Vol. 118, Núm. 31, pp. 17577-17584
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Halogen bonding from dispersion-corrected density-functional theory: The role of delocalization error
Journal of Chemical Theory and Computation, Vol. 10, Núm. 12, pp. 5436-5447