Trabajos de Daniel Roca-Sanjuan

Chemistry


  Listando 27 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
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Article Induced Night Vision by Singlet-Oxygen-Mediated Activation of Rhodopsin Marazzi, Marco; Gattuso, Hugo; Giussani, Angelo; Zhang, Hong; Navarrete-Miguel, Miriam; Chipot, Christophe; Cai, Wensheng; Roca-Sanjuan, Daniel; Dehez, Francois; Monari, Antonio JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1948-7185 (2019) DOI / 10.1021/acs.jpclett.9b02911
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Article Photochemistry of HOSO2 and SO3 and Implications for the Production of Sulfuric Acid Carmona-Garcia, Javier; Trabelsi, Tarek; Frances-Monerris, Antonio; Cuevas, Carlos A.; Saiz-Lopez, Alfonso; Roca-Sanjuan, Daniel; Francisco, Joseph S. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2021) DOI / 10.1021/jacs.1c10153
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Article Dynamics of the excited-state hydrogen transfer in a (dG).(dC) homopolymer: intrinsic photostability of DNA Frances-Monerris, Antonio; Gattuso, Hugo; Roca-Sanjuan, Daniel; Tunon, Inaki; Marazzi, Marco; Dumont, Elise; Monari, Antonio CHEMICAL SCIENCE 2041-6520 (2018) DOI / 10.1039/c8sc03252a Green published, Gold
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Article Photochemistry and Non-adiabatic Photodynamics of the HOSO Radical Carmona-Garcia, Javier; Frances-Monerris, Antonio; Cuevas, Carlos A.; Trabelsi, Tarek; Saiz-Lopez, Alfonso; Francisco, Joseph S.; Roca-Sanjuan, Daniel JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2021) DOI / 10.1021/jacs.1c05149
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Review Chemi- and Bioluminescence of Cyclic Peroxides Vacher, Morgane; Galvan, Ignacio Fdez; Ding, Bo-Wen; Schramm, Stefan; Berraud-Pache, Romain; Naumov, Pance; Ferre, Nicolas; Liu, Ya-Jun; Navizet, Isabelle; Roca-Sanjuan, Daniel; Baader, Wilhelm J.; Lindh, Roland CHEMICAL REVIEWS 0009-2665 (2018) DOI / 10.1021/acs.chemrev.7b00649
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Article Light-Induced On/Off Switching of the Surfactant Character of the o-Cobaltabis(dicarbollide) Anion with No Covalent Bond Alteration Abdelgawwad, Abdelazim M. A.; Maria Xavier, Jewel Ann; Roca-Sanjuan, Daniel; Vinas, Clara; Teixidor, Francesc; Frances-Monerris, Antonio ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2021) DOI / 10.1002/anie.202111493
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Article On the chemiluminescence emission of luminol: protic and aprotic solvents and encapsulation to improve the properties in aqueous solution Borrego-Sanchez, Ana; Giussani, Angelo; Rubio, Mercedes; Roca-Sanjuan, Daniel PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2020) DOI / 10.1039/d0cp04571c
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Article Solid State Luminescence Enhancement in a pi-Conjugated Materials: Unraveling the Mechanism beyond the Framework of AIE/AIEE Shi, Junqing; Suarez, Luis E. Aguilar; Yoon, Seong-Jun; Varghese, Shinto; Serpa, Carlos; Park, Soo Young; Luer, Larry; Roca-Sanjuan, Daniel; Milian-Medina, Begona; Gierschner, Johannes JOURNAL OF PHYSICAL CHEMISTRY C 1932-7447 (2017) DOI / 10.1021/acs.jpcc.7b08060
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Article Inverted energy gap law for the nonradiative decay in fluorescent floppy molecules: larger fluorescence quantum yields for smaller energy gaps Shi, Junqing; Izquierdo, Maria A.; Oh, Sangyoon; Park, Soo Young; Milian-Medina, Begona; Roca-Sanjuan, Daniel; Gierschner, Johannes ORGANIC CHEMISTRY FRONTIERS 2052-4129 (2019) DOI / 10.1039/c9qo00259f Green published
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Article A Series of Ultra-Efficient Blue Borane Fluorophores Bould, Jonathan; Lang, Kamil; Kirakci, Kaplan; Cerdan, Luis; Roca-Sanjuan, Daniel; Frances-Monerris, Antonio; Clegg, William; Waddell, Paul G.; Fuciman, Marcel; Polivka, Tomas; Londesborough, Michael G. S. INORGANIC CHEMISTRY 0020-1669 (2020) DOI / 10.1021/acs.inorgchem.0c02277
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Article Characterization of Locally Excited and Charge-Transfer States of the Anticancer Drug Lapatinib by Ultrafast Spectroscopy and Computational Studies Vaya, Ignacio; Andreu, Inmaculada; Lence, Emilio; Gonzalez-Bello, Concepcion; Consuelo Cuquerella, M.; Navarrete-Miguel, Miriam; Roca-Sanjuan, Daniel; Miranda, Miguel A. CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2020) DOI / 10.1002/chem.202001336
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Article Photochromic System among Boron Hydrides: The Hawthorne Rearrangement Frances-Monerris, Antonio; Holub, Josef; Roca-Sanjuan, Daniel; Hnyk, Drahomir; Lang, Kamil; Oliva-Enrich, Josep M. JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1948-7185 (2019) DOI / 10.1021/acs.jpclett.9b02290
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Article Peptide Metal-Organic Frameworks for Enantioselective Separation of Chiral Drugs Navarro-Sanchez, Jose; Argente-Garcia, Ana I.; Moliner-Martinez, Yolanda; Roca-Sanjuan, Daniel; Antypov, Dmytro; Campins-Falco, Pilar; Rosseinsky, Matthew J.; Marti-Gastaldo, Carlos JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2017) DOI / 10.1021/jacs.7b00280 Green submitted
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Article Ab initio quantum-chemical computations of the absorption cross sections of HgX2 and HgXY (X, Y = Cl, Br, and I): molecules of interest in the Earth's atmosphere Sitkiewicz, Sebastian P.; Rivero, Daniel; Oliva-Enrich, Josep M.; Saiz-Lopez, Alfonso; Roca-Sanjuan, Daniel PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2019) DOI / 10.1039/c8cp06160b
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Article Multiconfigurational Quantum Chemistry Determinations of Absorption Cross Sections (sigma) in the Gas Phase and Molar Extinction Coefficients (epsilon) in Aqueous Solution and Air-Water Interface Borrego-Sanchez, Ana; Zemmouche, Madjid; Carmona-Garcia, Javier; Frances-Monerris, Antonio; Mulet, Pep; Navizet, Isabelle; Roca-Sanjuan, Daniel JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1549-9618 (2021) DOI / 10.1021/acs.jctc.0c01083 Hybrid, Green published
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Article Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process Saiz-Lopez, Alfonso; Ulises Acuna, A.; Trabelsi, Tarek; Carmona-Garcia, Javier; Davalos, Juan Z.; Rivero, Daniel; Cuevas, Carlos A.; Kinnison, Douglas E.; Sitkiewicz, Sebastian P.; Roca-Sanjuan, Daniel; Francisco, Joseph S. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2019) DOI / 10.1021/jacs.9b02890
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Article Building a Functionalizable, Potent Chemiluminescent Agent: A Rational Design Study on 6,8-Substituted Luminol Derivatives Mikroulis, Theodoros; Cuquerella, M. Consuelo; Giussani, Angelo; Pantelia, Anna; Rodriguez-Muniz, Gemma M.; Rotas, Georgios; Roca-Sanjuan, Daniel; Miranda, Miguel A.; Vougioukalakis, Georgios C. JOURNAL OF ORGANIC CHEMISTRY 0022-3263 (2021) DOI / 10.1021/acs.joc.1c00890
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Article Photodissociation Mechanisms of Major Mercury(II) Species in the Atmospheric Chemical Cycle of Mercury Frances-Monerris, Antonio; Carmona-Garcia, Javier; Ulises Acuna, A.; Davalos, Juan Z.; Cuevas, Carlos A.; Kinnison, Douglas E.; Francisco, Joseph S.; Saiz-Lopez, Alfonso; Roca-Sanjuan, Daniel ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2020) DOI / 10.1002/anie.201915656 Green submitted
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Article Molecular Basis of the Chemiluminescence Mechanism of Luminol Giussani, Angelo; Farahani, Pooria; Martinez-Munoz, Daniel; Lundberg, Marcus; Lindh, Roland; Roca-Sanjuan, Daniel CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2019) DOI / 10.1002/chem.201805918 Green submitted
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Article Mechanism of the OH Radical Addition to Adenine from Quantum Chemistry Determinations of Reaction Paths and Spectroscopic Tracking of the Intermediates Frances-Monerris, Antonio; Merchan, Manuela; Roca-Sanjuan, Daniel JOURNAL OF ORGANIC CHEMISTRY 0022-3263 (2017) DOI / 10.1021/acs.joc.6b02393
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Article Excited-state non-radiative decay in stilbenoid compounds: an ab initio quantum-chemistry study on size and substituent effects Izquierdo, Maria A.; Shi, Junqing; Oh, Sangyoon; Park, Soo Young; Milian-Medina, Begona; Gierschner, Johannes; Roca-Sanjuan, Daniel PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2019) DOI / 10.1039/c9cp03308d Green published
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Article Regioselectivity of the OH Radical Addition to Uracil in Nucleic Acids. A Theoretical Approach Based on QM/MM Simulations Aranda, Juan; Frances-Monerris, Antonio; Tunon, Inaki; Roca-Sanjuan, Daniel JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1549-9618 (2017) DOI / 10.1021/acs.jctc.7b00610
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Article Substitution of the laser borane anti-B18H22 with pyridine: a structural and photophysical study of some unusually structured macropolyhedral boron hydrides Londesborough, Michael G. S.; Dolansky, Jiri; Jelinek, Tomas; Kennedy, John D.; Cisarova, Ivana; Kennedy, Robert D.; Roca-Sanjuan, Daniel; Frances-Monerris, Antonio; Lang, Kamil; Clegg, William DALTON TRANSACTIONS 1477-9226 (2018) DOI / 10.1039/c7dt03823b Green submitted
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Article A theoretical analysis of the structure and properties of B26H30 isomers. Consequences to the laser and semiconductor doping capabilities of large borane clusters Machacek, Jan; Frances-Monerris, Antonio; Karmodak, Naiwrit; Roca-Sanjuan, Daniel; Fanfrlik, Jindrich; Londesborough, Michael G. S.; Hnyk, Drahommir; Jemmis, Eluvathingal D. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2019) DOI / 10.1039/c9cp02371b Green accepted
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Article Regiochemical memory in the adiabatic photolysis of thymine-derived oxetanes. A combined ultrafast spectroscopic and CASSCF/CASPT2 computational study Blasco-Brusola, Alejandro; Navarrete-Miguel, Miriam; Giussani, Angelo; Roca-Sanjuan, Daniel; Vaya, Ignacio; Miranda, Miguel A. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2020) DOI / 10.1039/d0cp03084h
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Article Experimental and Theoretical Study on the Cycloreversion of a Nucleobase-Derived Azetidine by Photoinduced Electron Transfer Fraga-Timiraos, Ana B.; Frances-Monerris, Antonio; Rodriguez-Muniz, Gemma M.; Navarrete-Miguel, Miriam; Miranda, Miguel A.; Roca-Sanjuan, Daniel; Lhiaubet-Vallet, Virginie CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2018) DOI / 10.1002/chem.201803298 Green published
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Article Hydroxyl Radical Addition to Thymine and Cytosine and Photochemistry of the Adducts at the C6 Position Borras, Vicent J.; Frances-Monerris, Antonio; Roca-Sanjuan, Daniel CHEMPHOTOCHEM 2367-0932 (2019) DOI / 10.1002/cptc.201900087

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