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Tipo Producción |
Título |
Primer autor |
Año de Producción |
DOI |
Fuente |
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Atomic Decomposition Scheme of Noncovalent Interactions Applied to Host-Guest Assemblies
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Ponce-Vargas M.
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2020
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Dibenzyl disulfide adsorption on cationic exchanged faujasites: A DFT study
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Hessou E.
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2019
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The role of solvation models on the computed absorption and emission spectra: the case of fireflies oxyluciferin
|
García-Iriepa C.
|
2019
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Three-phenyl transfer in palladium-catalyzed C[sbnd]C coupling reactions by triarylbismuths: A mechanistic study
|
Kutudila P.
|
2019
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Atom Transfer Radical Addition Catalyzed by Ruthenium-Arene Complexes Bearing a Hybrid Phosphine-Diene Ligand
|
Chotard F.
|
2018
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Design of a multifunctionalizable BODIPY platform for the facile elaboration of a large series of gold(i)-based optical theranostics
|
Pliquett J.
|
2018
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Formation of Coinage-Metal?Fullerene Adducts. Evaluation of the Interaction Nature between Triangular Coinage Metal Complexes (M<inf>3</inf> = Cu, Ag, and Au) and C<inf>60</inf> through Relativistic Density Functional Theory Calculations
|
Ulloa C.
|
2018
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Nature of cucurbituril-halogen encapsulation. Structural and interaction energy consideration in the X<inf>2</inf>@CB[: N] (X = Cl, Br, I, n = 6, 7, 8) from relativistic DFT calculations
|
Olea Ulloa C.
|
2018
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Rationalisation of the optical signatures of: Nor -dihydroxanthene-hemicyanine fused near-infrared fluorophores by first-principle tools
|
Azarias C.
|
2018
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Searching for new borondifluoride ?-diketonate complexes with enhanced absorption/emission properties using ab initio tools
|
Ponce-Vargas M.
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2018
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Stabilizing Role of Halide Ions in Endohedral [20]Silafulleranes: Insights from DFT Calculations toward Silicon Nanocages
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Ponce-Vargas M.
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2018
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Combined TD-DFT-SOS-CIS(D) Study of BOPHY Derivatives with Potential Application in Biosensing
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Ponce-Vargas M.
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2017
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Ethynylene-analogues of hemicurcuminoids: Synthesis and ground- and excited properties of their boron difluoride complexes
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?tefane B.
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2017
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Influence of the electron donor groups on the optical and electrochemical properties of borondifluoride complexes of curcuminoid derivatives: a joint theoretical and experimental study
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Canard G.
|
2017
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Synthesis of Bioinspired Curcuminoid Small Molecules for Solution-Processed Organic Solar Cells with High Open-Circuit Voltage
|
Archet F.
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2017
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Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging
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Kim E.
|
2016
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Boron Difluoride Curcuminoid Fluorophores with Enhanced Two-Photon Excited Fluorescence Emission and Versatile Living-Cell Imaging Properties
|
Kamada K.
|
2016
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Tiara-like Complexes acting as Iodine Encapsulating Agents: The Role of M?I Interactions in [M(?-SCH<inf>2</inf>CO<inf>2</inf>Me)<inf>2</inf>]<inf>8</inf>?I<inf>2</inf>(M = Ni, Pd, Pt) Inclusion Compounds
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Ponce-Vargas M.
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2016
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[2.2.2]Paracyclophane, preference for ?<sup>6</sup> or ?<sup>18</sup> coordination mode including Ag(I) and Sn(II): A survey into the cation-? interaction nature through relativistic DFT calculations
|
Ulloa C.
|
2015
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Metal containing cryptands as hosts for anions: Evaluation of Cu(i)?X and ??X interactions in halide-tricopper(i) complexes through relativistic DFT calculations
|
Ponce-Vargas M.
|
2015
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Metallacycles Capabilities in Host-Guest Chemistry
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Ponce-Vargas M.
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2015
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A study on the versatility of metallacycles in host-guest chemistry: Interactions in halide-centered hexanuclear copper(ii) pyrazolate complexes
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Ponce-Vargas M.
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2014
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Heavy element metallacycles: Insights into the nature of host-guest interactions involving dihalide mercuramacrocycle complexes
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Ponce-Vargas M.
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2014
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Theoretical study of the binding strength and magnetical response properties involved in the formation of the ?-donor/?-acceptor [TTF-CBPQT]4+ host-guest system
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Olea Ulloa C.
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2013
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Survey of long d <sup>10</sup>-d <sup>10</sup> metallophilic contacts in four-membered rings of Ag(I) and Au(I) supported by carbene-pyrazole mixed ligands
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Maturana R.
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2012
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