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Searching for New Borondifluoride Beta-diketonate Complexes with Enhanced Absorption-Emission Properties using ab initio Tools

Miguel-Armando Ponce-Vargas
Journées Théorie, Modélisation et Simulation JTMS 2018, May 2018, Paris, France
Communication dans un congrès hal-01826862v1
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Hierarchical Porous Carbon-PtPd Catalysts and Their Activity toward Oxygen Reduction Reaction

Ofelia Marilu Arias-Pinedo , Andy Cardenas Riojas , Elena Pastor , Elvis López , Geronimo Perez , et al.
ACS Omega, 2022, 7 (24), pp.20860-20871. ⟨10.1021/acsomega.2c01457⟩
Article dans une revue hal-03691340v1
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Atom Transfer Radical Addition Catalyzed by Ruthenium–Arene Complexes Bearing a Hybrid Phosphine–Diene Ligand

Florian Chotard , Raluca Malacea-Kabbara , Cédric Balan , Ewen Bodio , Michel Picquet , et al.
Organometallics, 2018, 37 (5), pp.812 - 820. ⟨10.1021/acs.organomet.7b00851⟩
Article dans une revue hal-01857060v1

Metal containing cryptands as hosts for anions: evaluation of Cu(I)···X and π···X interactions in halide-tricopper(I) complexes through relativistic DFT calculations

Miguel Ponce-Vargas , Alvaro Munoz-Castro
Physical Chemistry Chemical Physics, 2015, 17 (28), pp.18677-18683. ⟨10.1039/C5CP02737C⟩
Article dans une revue hal-01174894v1

Borondifluoride complexes of hemicurcuminoids as bio-inspired push–pull dyes for bioimaging

Eunsun Kim , Abdellah Felouat , Elena Zaborova , Jean-Charles Ribierre , Jeong Weon Wu , et al.
Organic & Biomolecular Chemistry, 2016, 14 (14), pp.1311-1324. ⟨10.1039/C5OB02295A⟩
Article dans une revue hal-01413409v1
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Combined TD-DFT-SOS-CIS(D) Study of BOPHY Derivatives with Potential Application in Biosensing

Miguel-Armando Ponce-Vargas , Cloé Azarias , Denis Jacquemin , Boris Le Guennic
Journal of Physical Chemistry B, 2017, 121 (48), pp.10850-10858. ⟨10.1021/acs.jpcb.7b09698⟩
Article dans une revue hal-01660897v1

Highly Porous Reduced Graphene Oxide-Coated Carbonized Cotton Fibers as Supercapacitor Electrodes

Antony Bazan-Aguilar , Miguel Ponce-Vargas , Clemente Luyo Caycho , Adolfo La Rosa-Toro , Angélica María Baena-Moncada
ACS Omega, 2020, 5 (50), pp.32149-32159. ⟨10.1021/acsomega.0c02370⟩
Article dans une revue hal-03544844v1

Tiara-like Complexes acting as Iodine Encapsulating Agents: The Role of M···I Interactions in [M(μ-SCH2CO2Me)2]8⊂I2 (M = Ni, Pd, Pt) Inclusion Compounds.

Miguel-Armando Ponce-Vargas
Journée Scientifique de la Division de Physique Chimie, Nov 2017, Paris, France
Poster de conférence hal-01826867v1

Dibenzyl Disulfide Adsorption on Cationic Exchanged Faujasites: A DFT Study

Etienne Paul Hessou , Miguel Ponce-Vargas , Jean-Baptiste Mensah , Frederik Tielens , Juan Carlos Santos , et al.
Nanomaterials, 2019, 9 (5), pp.715. ⟨10.3390/nano9050715⟩
Article dans une revue hal-02429391v1
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Ethynylene-analogues of hemicurcuminoids: Synthesis and ground- and excited properties of their boron difluoride complexes

B. Štefane , F. Požgan , E. Kim , E. Choi , J.-C. Ribierre , et al.
Dyes and Pigments, 2017, 141, pp.38-47. ⟨10.1016/j.dyepig.2017.02.005⟩
Article dans une revue hal-01515154v1

Novel approach to accurately predict bond strength and ligand lability in platinum-based anticancer drugs

Miguel Ponce-Vargas , Johanna Klein , Eric Hénon
Dalton Transactions, 2020, 49 (36), pp.12632-12642. ⟨10.1039/D0DT02552F⟩
Article dans une revue hal-03372249v1

The role of solvation models on the computed absorption and emission spectra: the case of fireflies oxyluciferin

Cristina Garcia-Iriepa , Madjid Zemmouche , Miguel Ponce-Vargas , Isabelle Navizet
Physical Chemistry Chemical Physics, 2019, 21 (8), pp.4613-4623. ⟨10.1039/C8CP07352J⟩
Article dans une revue hal-02429390v1
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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

Gabriel Canard , Miguel Ponce-Vargas , Denis Jacquemin , Boris Le Guennic , Abdellah Felouat , et al.
RSC Advances, 2017, 7 (17), pp.10132 - 10142. ⟨10.1039/c6ra25436e⟩
Article dans une revue hal-01779098v1

An Atomic Decomposition Scheme of Noncovalent Interactions applied to Host-Guest Assemblies

Miguel Ponce-Vargas , Corentin Lefebvre , Jean-Charles Boisson , Eric Hénon
Journal of Chemical Information and Modeling, 2020, 60 (1), pp.268-278. ⟨10.1021/acs.jcim.9b01016⟩
Article dans une revue hal-02429354v1

Rationalisation of the Optical Signatures of nor-Dihydroxanthene-Hemicyanine Fused Near-Infrared Fluorophores By First Principle Tools

Cloé Azarias , Miguel-Armando Ponce-Vargas , Isabelle Navizet , Paul Fleurat-Lessard , Anthony Romieu , et al.
Physical Chemistry Chemical Physics, 2018, 20 (17), pp.12120-12128. ⟨10.1039/C8CP01587B⟩
Article dans une revue hal-01769653v1
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Synthesis of Bioinspired Curcuminoid Small Molecules for Solution-Processed Organic Solar Cells with High Open-Circuit Voltage

Florence Archet , Dandan Yao , Sylvain Chambon , Chahine Abbas , Anthony D ' Aléo , et al.
ACS Energy Letters, 2017, 2 (6), pp.1303-1307. ⟨10.1021/acsenergylett.7b00157⟩
Article dans une revue hal-01563209v1

Pyridazinone derivatives as potential anti-inflammatory agents: synthesis and biological evaluation as PDE4 inhibitors

Ingrid Allart-Simon , Aurélie Moniot , Nicolo Bisi , Miguel Ponce-Vargas , Sandra Audonnet , et al.
RSC Medicinal Chemistry, 2021, 12, pp.584 - 592. ⟨10.1039/d0md00423e⟩
Article dans une revue hal-03352041v1
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Mechanistic insights into Smiles rearrangement. Focus on π–π stacking interactions along the radical cascade

Hassan Khartabil , Ludovic Doudet , Ingrid Allart-Simon , Miguel Ponce-Vargas , Stéphane Gérard , et al.
Organic & Biomolecular Chemistry, 2020, 18 (35), pp.6840-6848. ⟨10.1039/D0OB01511C⟩
Article dans une revue hal-03372250v1
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Searching for new borondifluoride β -diketonate complexes with enhanced absorption/emission properties using ab initio tools

Miguel Ponce-Vargas , Bogdan Štefane , Elena Zaborova , Frédéric Fages , Anthony d'Aléo , et al.
Dyes and Pigments, 2018, 155, pp.59-67. ⟨10.1016/j.dyepig.2018.03.022⟩
Article dans une revue hal-01769678v1

Metallacycles Capabilities in Host-Guest Chemistry

Miguel Ponce-Vargas
ChemistryOpen, 2015, 4 (5), pp.656-660. ⟨10.1002/open.201500125⟩
Article dans une revue hal-01188239v1

Stabilizing Role of Halide Ions in Endohedral [20]Silafulleranes: Insights from DFT Calculations toward Silicon Nanocages

Miguel Ponce-Vargas , Alvaro Munoz-Castro
Journal of Physical Chemistry C, 2018, 122 (23), pp.12551 - 12558. ⟨10.1021/acs.jpcc.8b03360⟩
Article dans une revue hal-01826864v1

Formation of Coinage-Metal···Fullerene Adducts. Evaluation of the Interaction Nature between Triangular Coinage Metal Complexes (M 3 = Cu, Ag, and Au) and C 60 through Relativistic Density Functional Theory Calculations

Carolina Olea Ulloa , Miguel Ponce-Vargas , Alvaro Munoz-Castro
Journal of Physical Chemistry C, 2018, 122 (43), pp.25110-25117. ⟨10.1021/acs.jpcc.8b08417⟩
Article dans une revue hal-02429396v1
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Tiara-like Complexes acting as Iodine Encapsulating Agents: The Role of M⋯I Interactions in [M(μ-SCH2CO2Me)2]8⊂I2 (M = Ni, Pd, Pt) Inclusion Compounds

Miguel-Armando Ponce-Vargas , Alvaro Munoz-Castro
Journal of Physical Chemistry C, 2016, 120 (41), pp.23441--23448. ⟨10.1021/acs.jpcc.6b08643⟩
Article dans une revue hal-01398050v1

Bio-inspired small molecule from one-pot synthesis for high open-circuit voltage organic solar cells

Florence Archet , Elena Zarabova , Sylvain Chambon , Mamatimin Abbas , Dandao Yao , et al.
FPi13, Jun 2017, Hongkong, China
Communication dans un congrès hal-02526430v1

Boron Difluoride Curcuminoid Fluorophores with Enhanced Two-Photon Excited Fluorescence Emission and Versatile Living-Cell Imaging Properties

Kenji Kamada , Tomotaka Namikawa , Sébastien Sénatore , Cedric Matthews , Pierre-François Lenne , et al.
Chemistry - A European Journal, 2016, 22 (15), pp.5219-5232. ⟨10.1002/chem.201504903⟩
Article dans une revue hal-01282459v1
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Three-phenyl transfer in palladium-catalyzed C-C coupling reactions by triarylbismuths: A mechanistic study

Pricilia Kutudila , Roberto Linguerri , Miguel Ponce-Vargas , Christophe Pichon , Sylvie Condon , et al.
Molecular Catalysis, 2020, 482, 7p. ⟨10.1016/j.mcat.2019.110649⟩
Article dans une revue hal-02429383v1