Cristina García Iriepa

Artículos

• GARC??A IRIEPA, Cristina; JODR?? APARICIO, Alejandro; FRUTOS GAITE, Luis Manuel; ."Mechanical Activation of Forbidden Photoreactivity in Oxa-di-pi-methane Rearrangement". (ISSN: 0022-3263). Journal of Organic Chemistry. , vol 87 , num 19 , p. 12586 -

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• GARC??A IRIEPA, Cristina; MOUMENE , Houda; PRAMPOLINI , Giacomo; CEREZO , Javier; , isabelle navizet; SANTORO , Fabrizio; ."Deciphering the Luminescence Spectral Shape of an Oxyluciferin Analogue through a Mixed Quantum-Classical Approach". The Journal of Physical Chemistry B. 2025 , vol 129 , num 11 , p. 2829 - 2844

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• GARC??A IRIEPA, Cristina; FERN??NDEZ CLAVERO, Luis Carlos; RIVERO-BARBARROJA , Gonzalo; , Thais Carmona; MARCELO , Gema; TROS DE ILARDUYA, Conchita; ORTIZ MELLET, Carmen Ortiz Mellet; GARC??A FERN??NDEZ, Jos?? Mar??a; BENITO , Juan M.; MENDICUTI MADRID, Francisco Enrique Javier; ."Light-controlled assembly and disassembly of cyclodextrin-bisazobenzene supramolecular complexes". (ISSN: 0014-3057). European Polymer Journal. 2025 , vol 229 , p. 113849 -

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• , Alejandro Jodra; MARAZZI , Marco Dino Maurizio; FRUTOS GAITE, Luis Manuel; GARC??A IRIEPA, Cristina; ."Modulating Efficiency and Color of Thermally Activated Delayed Fluorescence by Rationalizing the Substitution Effect". (ISSN: 1549-9618). Journal of Chemical Theory and Computation. 2024 , vol 20 , num 10 , p. 4239 - 4253

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• , Alejandro Jodra; GARC??A IRIEPA, Cristina; FRUTOS GAITE, Luis Manuel; ."An Algorithm Predicting the Optimal Mechanical Response of Electronic Energy Difference". (ISSN: 1549-9618). Journal of Chemical Theory and Computation. 2023 , vol 19 , num 18 , p. 6392 - 6401

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• HOGNON , C??cilia; BIGNON , Emmanuelle; MONARI , Antonio; , M. Marazzi; GARC??A IRIEPA, Cristina; ."Revealing the Molecular Interactions between Human ACE2 and the Receptor Binding Domain of the SARS-CoV-2 Wild-Type, Alpha and Delta Variants". International Journal of Molecular Sciences. 2023 , vol 24 , num 3 (2517) , p. 1 - 16 .

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• CEREZO , Javier; GARC??A IRIEPA, Cristina; SANTORO , Fabrizio; NAVIZET , Isabelle; PRAMPOLINI , Giacomo; ."Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue". (ISSN: 1463-9076). Physical Chemistry Chemical Physics. 2023 , num 25 , p. 5007 - 5020

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• JODR?? APARICIO, Alejandro; GARC??A IRIEPA, Cristina; FRUTOS GAITE, Luis Manuel; ."Mechanical activation of forbidden photoreactivity in oxa-di-pi-methane rearrangement". (ISSN: 0022-3263 ). The Journal of Organic Chemistry. 2022 , vol 87 , num 19 , p. 12586 - 12595

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• GARC??A IRIEPA, Cristina; MARAZZI , Marco Dino Maurizio; QUILEZ ALBURQUERQUE, Jose; DESCALZO , Ana B.; ORELLANA , Guillermo; ."Interaction of a 1,3-Dicarbonyl Toxin with Ru(II)-Biimidazole Complexes for Luminescence Sensing: A Spectroscopic and Photochemical Experimental Study Rationalized by Time-Dependent Density Functional Theory Calculations". (ISSN: 0020-1669). Inorganic Chemistry. 2021 , vol 61 , num 1 , p. 328 - 337

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• GARC??A IRIEPA, Cristina; MARAZZI , Marco Dino Maurizio; BENITEZ MARTIN, Carlos; NAJERA , Francisco; MONARI , Antonio; SAMPEDRO , Diego; ."E/Z Molecular Photoswitches Activated by Two-Photon Absorption: Comparison between Different Families". Molecules. 2021 , vol 26 , num 23 , p. 7379 -

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• GARC??A IRIEPA, Cristina; MARAZZI , Marco Dino Maurizio; FRANCES MONERRIS, antonio; IRIEPA CANALDA, Isabel; HOGNON , C??cilia; BARONE , Giampaolo; ."Microscopic interactions between ivermectin and key human and viral proteins involved in SARS-CoV-2 infection". (ISSN: 1463-9076). Physical Chemistry Chemical Physics. 2021 , vol 23 , p. 22957 -

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• GARC??A IRIEPA, Cristina; MARTINEZ LOPEZ, David; SANTAMAR??A ARANDA, Eduardo; MARAZZI , Marco Dino Maurizio; SAMPEDRO RUIZ, Diego; ."pi??Bridge Substitution in DASAs: The Subtle Equilibrium between Photochemical Improvements and Thermal Control". Chemistry a European Journal. 2021 , vol 27 , num 13 , p. 4420 - 4429 .

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• GARC??A IRIEPA, Cristina; MARAZZI , Marco Dino Maurizio; NAVIZET , Isabelle; ."The role of CO2 detachment in fungal bioluminescence: thermally vs. excited state induced pathways ". (ISSN: 1463-9076). Physical Chemistry Chemical Physics. 2020 , vol 22 , p. 26787 - 26795

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• GARC??A IRIEPA, Cristina; FRANCES MONERRIS, antonio; IRIEPA CANALDA, Isabel; TERENZI , Alessio; MICLOT , Tom; HOGNON , C??cilia; GRANDEMANGE , St??phanie; BARONE , Giampaolo; MARAZZI , Marco Dino Maurizio; MONARI , antonio; ."Molecular Basis of SARS-CoV-2 Infection and Rational Design of Potential Antiviral Agents: Modeling and Simulation Approaches". (ISSN: 1535-3893). Journal of Proteome Research. 2020 , vol 19 , num 11 , p. 4291 - 4315

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• GARC??A IRIEPA, Cristina; FRANCES MONERRIS, antonio; IRIEPA CANALDA, Isabel; HOGNON , C??cilia; MICLOT , Tom; BARONE , Giampaolo; MONARI , Antonio; MARAZZI , Marco Dino Maurizio; ."Has Ivermectin Virus-Directed Effects against SARS-CoV-2? Rationalizing the Action of a Potential Multitarget Antiviral Agent". Chemrxiv. 2020

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• HOGNON , C??cilia; MICLOT , Tom; GARC??A IRIEPA, Cristina; FRANCES MONERRIS, antonio; GRANDEMANGE , St??phanie; TERENZI , Alessio; MARAZZI , Marco Dino Maurizio; BARONE , Giampaolo; MONARI , Antonio; ."Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses". (ISSN: 1948-7185). The Journal of Physical Chemistry Letters. 2020 , vol 11 , p. 5661 - 5667

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• GARC??A IRIEPA, Cristina; LOSANTOS CABELLO, Ra??l; FERN??NDEZ MART??NEZ, Diana; SAMPEDRO RUIZ, Diego; NAVIZET , Isabelle; ."Fungal light emitter: Understanding its chemical nature and pH dependent emission in water solution.". (ISSN: 0022-3263). Journal of Organic Chemistry. 2020 , vol 85 , num 8 , p. 5503 - 5510

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• GARC??A IRIEPA, Cristina; ZEMMOUCHE , Madjid; NAVIZET , Isabelle; ."Light emission colour modulation study of oxyluciferin synthetic analogues via QM and QM/MM approaches". (ISSN: 1463-9076). Physical Chemistry Chemical Physics. 2020 , vol 22 , num 1 , p. 82 - 91

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• GARC??A IRIEPA, Cristina; DE ALMEIDA BARBOSA, Nuno Manuel; ZEMMOUCHE , Madjid; GOSSET , Pauline; NAVIZET , Isabelle; DIDIER , Pascal; FERR?? , Nicolas; ."pH-dependent absorption spectrum of oxyluciferin analogues in the presence of adenosine monophosphate". (ISSN: 2367-0932). ChemPhotoChem. 2019 , vol 3 , num 12 , p. 1219 - 1230

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• GARC??A IRIEPA, Cristina; , marco marazzi; , diego sampedro; ."From Light Absorption to Cyclization: Structure and Solvent Effects in Donor-Acceptor Stenhouse Adducts". (ISSN: 2367-0932). ChemPhotoChem. 2019 , vol 3 , num 9 , p. 866 - 873

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• GARC??A IRIEPA, Cristina; DE LA LANDE , Aur??lien; , Aurelio Alvarez-Ibarra; HASNAOUI , Karim; CAILLIEZ , Fabien; WU , Xiaojing; MINEVA , Tzonka; CUNY , J??r??me; CALAMINICI , Patrizia; , Luis L??pez-Sosa; GEUDTNER , Gerald; NAVIZET , Isabelle; , Dennis R. Salahub; , Andreas M. K??ster; ."Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review". (ISSN: 1420-3049). Molecules. 2019 , vol 24 , num 9 , p. 1653 -

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• GARC??A IRIEPA, Cristina; NAVIZET , Isabelle; ."Effect of Protein Conformation and AMP Protonation State on Fireflies Bioluminescent Emission". (ISSN: 1420-3049). Molecules. 2019 , vol 24 , num 8 , p. 1565 -

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• GARC??A IRIEPA, Cristina; , David Mart??nez-L??pez; , Sergio Pi??eiro-Hermida; , Ic??ar P. L??pez; , Diana Fern??ndez-Mart??nez; , Elvira Alfaro-Arnedo; PICHEL , Jose G.; , Pedro J. Campos; SAMPEDRO , diego; ."Design and synthesis of novel metronidazole-based photoswitches with potential biological applications". (ISSN: 2367-0932). ChemPhotoChem. 2019 , vol 3 , num 6 , p. 425 - 430

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• GARC??A IRIEPA, Cristina; SAMPEDRO RUIZ, Diego; MENDICUTI MADRID, Francisco; LEONARD , Jeremie; FRUTOS GAITE, Luis Manuel; ."Photoreactivity Control Mediated by Molecular Force Probes in Stilbene". (ISSN: 1948-7185). The Journal of Physical Chemistry Letters. 2019 , vol 10 , num 5 , p. 1063 - 1067 .

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• GARC??A IRIEPA, Cristina; ZEMMOUCHE , Madjid; , Miguel Ponce-Vargas; NAVIZET , Isabelle; ."The role of solvation models on the computed absorption and emission spectra: the case of fireflies oxyluciferin". (ISSN: 1463-9076). Physical Chemistry Chemical Physics. 2019 , vol 21 , num 8 , p. 4613 - 4623

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• GARC??A IRIEPA, Cristina; FRUTOS GAITE, Luis Manuel; ."Molecular Switching by Electron Holes". (ISSN: 2451-9294). Chem. 2018 , vol 4 , num 7 , p. 1488 - 1489 .

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• GARC??A IRIEPA, Cristina; , Paulline Gosset; BERRAUD-PACHE , Romain; ZEMMOUCHE , Madjid; TAUPIER , Gregory; DORKENOO , Kokou Dodzi; DIDIER , Pascal; , Jeremie Leonard; FERR?? , Nicolas; NAVIZET , Isabelle; ."Simulation and Analysis of the Spectroscopic Properties of Oxyluciferin and Its Analogues in Water". Jorunal of Chemical Theory and Computation. 2018 , vol 14 , num 4

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• GARC??A IRIEPA, Cristina; BERRAUD-PACHE , Romain; NAVIZET , Isabelle; ."Modelling chemical reactions by QM/MM calculations: the case of the tautomerization in fireflies bioluminescent systems". Frontiers in Chemistry. 2018 , vol 6 , p. 116 -

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• GARC??A IRIEPA, Cristina; MARAZZI , Marco Dino Maurizio; ."Level of Theory and Solvent Effects on DASA Absorption Properties Prediction: Comparing TD-DFT, CASPT2 and NEVPT2". (ISSN: 1996-1944). Materials. 2017 , vol 10 , num 9

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• TRANSUE , Wesley J.; VELIAN , Alexandra; NAVA , Matthew; GARC??A IRIEPA, Cristina; TEMPRADO MORENA, Manuel; CUMMINS , Christopher C.; ."Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds". (ISSN: 0002-7863). Journal of the American Chemical Society. 2017 , vol 139 , num 31 , p. 10822 - 10831 .  .

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• GARC??A IRIEPA, Cristina; , R. Losantos; , I. Funes-Ardoiz; , J. Aguilera; HERRERA CEBALLOS, Enrique; , P. J. Campos; SAMPEDRO RUIZ, Diego; ."Rational Design and Synthesis of Efficient Sunscreens to Boost the Solar Protection Factor". Angewandte Chemie International Edition. 2017 , vol 56 , num 10 , p. 2632 - 2635 .

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• FERN??NDEZ GONZ??LEZ, Miguel ??ngel; RIVERO FERN??NDEZ, Daniel; GARC??A IRIEPA, Cristina; SAMPEDRO RUIZ, Diego; FRUTOS GAITE, Luis Manuel; ."Mechanochemical Tuning of Pyrene Absorption Spectrum Using Force Probes". (ISSN: 1549-9618). Journal of Chemical Theory and Computation. 2017 , vol 13 , num 2 , p. 727 - 736

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• GARC??A IRIEPA, Cristina; DGACHI , Youssef; SOKOLOV , Olga; LUZET , Vicent; GODYN , Justyna; PANEK , Dawid; BONET , Alexandre; MARTIN , Helene; ISABEL , Iriepa; IRIEPA CANALDA, Isabel; MORALEDA FERN??NDEZ, Ignacio; JANOCKOVA , Jana; RICHERT , Lysiane; SOUKUP , Ondrej; MALAWSKA , Barbara; CHABCHOUB , Fakher; CONTELLES , Jose Marco; ISMAILI , Lhassane; ."Tetrahydropyranodiquinolin-8-amines as new, non hepatotoxic, antioxidant, and acetylcholinesterase inhibitors for Alzheimer's disease therapy". (ISSN: 0223-5234). European Journal of Medicinal Chemistry. 2017 , vol 126 , p. 576 - 589

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• GARC??A IRIEPA, Cristina; ERNST , Hanna A.; LIANG , Yu; UNTERREINER , Andreas -Neil; FRUTOS GAITE, Luis Manuel; SAMPEDRO RUIZ, Diego; ."Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties". (ISSN: 0022-3263). Journal of Organic Chemistry. 2016 , vol 81 , num 15 , p. 6292 - 6302 .

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• GARC??A IRIEPA, Cristina; GUEYE , Moussa; L??ONARD , J??r??mie; DAVID , Martinez-Lopez; CAMPOS , Pedro J.; FRUTOS GAITE, Luis Manuel; SAMPEDRO , Diego; MARAZZI , Marco Dino Maurizio; ."A biomimetic molecular switch at work: coupling photoisomerization dynamics to peptide structural rearrangement". (ISSN: 1463-9076). Physical Chemistry Chemical Physics. 2016 , vol 18 , num 9 , p. 6742 - 6753 .

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• RIVERO FERN??NDEZ, Daniel; VALENTINI , Alessio; FERN??NDEZ GONZ??LEZ, Miguel ??ngel; ZAPATA , Felipe; GARC??A IRIEPA, Cristina; SAMPEDRO , Diego; PALMEIRO , Raul; FRUTOS GAITE, Luis Manuel; ."Mechanical Forces Alter Conical Intersections Topology". (ISSN: 1549-9618). Journal of Chemical Theory and Computation. 2015 , vol 11 , num 8 , p. 3740 - 3745

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• MART??NEZ-L??PEZ , David; YU , Meng-Long; GARC??A IRIEPA, Cristina; CAMPOS , pedro; FRUTOS GAITE, Luis Manuel; GOLEN , James A.; RASAPALLI , Sivappa; SAMPEDRO RUIZ, Diego; ."Hydantoin-Based Molecular Photoswitches". (ISSN: 0022-3263). Journal of Organic Chemistry. 2015 , vol 80 , num 8 , p. 3929 - 3939 .  .

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• GARC??A IRIEPA, Cristina; VALIENTE MART??NEZ, Mercedes; ."Effect of Branched Alcohols on Phase Behavior and Rheology of Nonionic Surfactant Systems". (ISSN: 1097-3958). Journal of Surfactants and Detergents. 2014 , vol 59 , num 8 , p. 2634 - 2641

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• GARC??A IRIEPA, Cristina; MARAZZI , Marco Dino Maurizio; ZAPATA RUIZ, Felipe; VALENTINI , Alessio; SAMPEDRO RUIZ, Diego; FRUTOS GAITE, Luis Manuel; ."Chiral Hydrogen Bond Environment Providing Unidirectional Rotation in Photoactive Molecular Motors". (ISSN: 1948-7185). The Journal of Physical Chemistry Letters. 2013 , vol 9 , num 4 , p. 1389 - 1396 .  .

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• GARC??A IRIEPA, Cristina; MARAZZI , Marco Dino Maurizio; FRUTOS GAITE, Luis Manuel; SAMPEDRO RUIZ, Diego; ."E/Z Photochemical switches: syntheses, properties and applications". (ISSN: 2046-2069). RSC Advances. 2013 , vol 3 , num 18 , p. 6241 - 6266 .

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• FERN??NDEZ GONZ??LEZ, Miguel ??ngel; MARAZZI , Marco Dino Maurizio; L??PEZ DELGADO, Alberto; GARC??A IRIEPA, Cristina; RIVERO FERN??NDEZ, Daniel; CASTA??O GONZ??LEZ, Obis Dionisio; TEMPRADO MORENA, Manuel; FRUTOS GAITE, Luis Manuel; ZAPATA RUIZ, Felipe; ."Structural Substituent Effect in the Excitation Energy of a Chromophore: Quantitative Determination and Application to S-nitrosothiols". (ISSN: 1549-9618). Journal of Chemical Theory and Computation. 2012 , vol 8 , num 9 , p. 3293 - 3302 .

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Artículos Electrónicos

No existen datos en este apartado

Congresos

• GARC??A IRIEPA, Cristina; GRAMOLINI , Lorenzo; L??PEZ CORBAL??N, Richard; DELGADO , Marta; MARAZZI , Marco Dino Maurizio; ."Geometrical and electronic reasons behind the emission modulation of a ligand interacting with DNA". Congreso. Internacional. "CECAM: Advanced force fields in multiscale approaches for computational spectroscopy". "(Francia)". (13/01/2025 - 15/01/2025).

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• GARC??A IRIEPA, Cristina; MARAZZI , Marco Dino Maurizio; FRANC??S-MONERRIS , Antonio; BARONE , Giampaolo; MONARI , Antonio; ."RNA Guanine Quadruplex and SARS-CoV Unique Domain: Understanding their Interaction". Congreso. Internacional. "XIII Meeting on Nucleic Acids and Nucleosides". "(Espa??a)". (17/10/2024 - 18/10/2024).

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• GARC??A IRIEPA, Cristina; , Alejandro Jodra; MARAZZI , Marco Dino Maurizio; ."Rationalization of the substitution effect on the efficiency and color modulation of thermally activated delayed fluorescence". Internacional. "29th PhotoIUPAC (IUPAC Symposium on Photochemistry)". "(Espa??a)". (14/07/2024 - 19/07/2024).

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• GARC??A IRIEPA, Cristina; ."Designing photocages for encapsulation of biomedically relevant molecules". Congreso. Internacional. "XLIX Congress of the Physical Chemical Division of the Societ?? Chimica Italiana". Tur??n "(Italia)". (04/09/2023 - 07/09/2023).

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• GARC??A IRIEPA, Cristina; GUTI??RREZ ANGULO, Luis Miguel; IRIEPA CANALDA, Isabel; ."Computational Study of Photoactive Cages for Antibiotics??Encapsulation/Delivery". Internacional. "7th Spanish-Portuguese Workshop on Photochemistry". "(Espa??a)". (05/09/2022 - 08/09/2022).

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• GARC??A IRIEPA, Cristina; GUTI??RREZ ANGULO, Luis Miguel; LOZANO G??MEZ, Maria; ."Design of photoactive cages for the encapsulation/delivery of antibiotics". Internacional. "Congress on Electronic Structure: Principles and Applications (ESPA2022)". "(Espa??a)". (21/06/2022 - 24/06/2022).

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• GARC??A IRIEPA, Cristina; NAVIZET , Isabelle; ."Analyzing the solvent effect on absorption/emission spectra simulation of??fireflies" oxyluciferin.". Internacional. "Nonequilibrium dynamical solvent effects on excited states: from spectroscopy to photoreactivity, CECAM Workshop". "(Espa??a)". (14/06/2021 - 17/06/2021).

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• JODR?? APARICIO, Alejandro; GARC??A IRIEPA, Cristina; FRUTOS GAITE, Luis Manuel; ."Modulating the properties of TADF molecules by mechanochemistry". Congreso. Internacional. "LIVE ONLINE - AEBIN Photochemistry School 2020". (07/09/2020 - 09/09/2020).

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• GARC??A IRIEPA, Cristina; ."Hydrogen bonds in molecular motors as a way to achieve unidirectional rotation: a mechanistic and dynamical study". Congreso. Internacional. "XXIV IUPAC symposium on photochemistry". Coimbra "(Portugal)". (15/07/2012 - 20/07/2012).

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Tesis

No existen datos en este apartado