Daniel Roca-Sanjuán

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 44

Top Venues

Physical chemistry chemical physics : PCCP

Journal of chemical theory and computation

Nature communications

Molecules (Basel, Switzerland)

Universitat de València

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universitat de València Mar 01 2017

Spain

Contracted Researcher Ramón y Cajal :: Instituto de Ciencia Molecular

Publications

Miriam Navarrete-Miguel, Angelo Giussani, Mercedes Rubio, Martial Boggio-Pasqua, Antonio Carlos Borin, Daniel Roca-Sanjuán
Quantum-Chemistry Study of the Photophysical Properties of 4-Thiouracil and Comparisons with 2-Thiouracil. The journal of physical chemistry. A 128 (12) (2024)
Alejandro Blasco-Brusola, Lorena Tamarit, Miriam Navarrete-Miguel, Daniel Roca-Sanjuán, Miguel A Miranda, Ignacio Vayá
Photolytic splitting of homodimeric quinone-derived oxetanes studied by ultrafast transient absorption spectroscopy and quantum chemistry. Physical chemistry chemical physics : PCCP (2024)
Miriam Navarrete-Miguel, Angelo Giussani, Mercedes Rubio, Martial Boggio-Pasqua, Antonio Carlos Borin, Daniel Roca-Sanjuán
Quantum-Chemistry Study of the Photophysical Properties of 4-Thiouracil and Comparisons with 2-Thiouracil. The journal of physical chemistry. A 128 (12) (2024)
Salmahaminati, Daniel Roca-Sanjuán
The Photophysics and Photochemistry of Phenylalanine, Tyrosine, and Tryptophan: A CASSCF/CASPT2 Study. ACS omega 9 (33) (2024)
Miriam Navarrete-Miguel, Angelo Giussani, Mercedes Rubio, Martial Boggio-Pasqua, Antonio Carlos Borin, Daniel Roca-Sanjuán
Quantum-Chemistry Study of the Photophysical Properties of 4-Thiouracil and Comparisons with 2-Thiouracil. The journal of physical chemistry. A 128 (12) (2024)
Alexander G Bordón, Mariela I Profeta, Jorge M Romero, María J Jorge, Lilian C Jorge, Nelly L Jorge, Claro Ignacio Sainz-Díaz, Juliana Cuéllar-Zuquin, Daniel Roca-Sanjuán, César Antonio Viseras Iborra, André Grand, Alfonso Hernández-Laguna
Kinetic Study and Reaction Mechanism of the Gas-Phase Thermolysis Reaction of Methyl Derivatives of 1,2,4,5-Tetroxane. Molecules (Basel, Switzerland) 29 (14) (2024)
Salmahaminati, Daniel Roca-Sanjuán
The Photophysics and Photochemistry of Phenylalanine, Tyrosine, and Tryptophan: A CASSCF/CASPT2 Study. ACS omega 9 (33) (2024)
Miriam Navarrete-Miguel, Angelo Giussani, Mercedes Rubio, Martial Boggio-Pasqua, Antonio Carlos Borin, Daniel Roca-Sanjuán
Quantum-Chemistry Study of the Photophysical Properties of 4-Thiouracil and Comparisons with 2-Thiouracil. The journal of physical chemistry. A (2024)
Alejandro Blasco-Brusola, Lorena Tamarit, Miriam Navarrete-Miguel, Daniel Roca-Sanjuán, Miguel A Miranda, Ignacio Vayá
Photolytic splitting of homodimeric quinone-derived oxetanes studied by ultrafast transient absorption spectroscopy and quantum chemistry. Physical chemistry chemical physics : PCCP 26 (17) (2024)
Alejandro Blasco-Brusola, Lorena Tamarit, Miriam Navarrete-Miguel, Daniel Roca-Sanjuán, Miguel A Miranda, Ignacio Vayá
Photolytic splitting of homodimeric quinone-derived oxetanes studied by ultrafast transient absorption spectroscopy and quantum chemistry. Physical chemistry chemical physics : PCCP 26 (17) (2024)
Alexander G Bordón, Mariela I Profeta, Jorge M Romero, María J Jorge, Lilian C Jorge, Nelly L Jorge, Claro Ignacio Sainz-Díaz, Juliana Cuéllar-Zuquin, Daniel Roca-Sanjuán, César Antonio Viseras Iborra, André Grand, Alfonso Hernández-Laguna
Kinetic Study and Reaction Mechanism of the Gas-Phase Thermolysis Reaction of Methyl Derivatives of 1,2,4,5-Tetroxane. Molecules (Basel, Switzerland) 29 (14) (2024)
Alexander G Bordón, Mariela I Profeta, Jorge M Romero, María J Jorge, Lilian C Jorge, Nelly L Jorge, Claro Ignacio Sainz-Díaz, Juliana Cuéllar-Zuquin, Daniel Roca-Sanjuán, César Antonio Viseras Iborra, André Grand, Alfonso Hernández-Laguna
Kinetic Study and Reaction Mechanism of the Gas-Phase Thermolysis Reaction of Methyl Derivatives of 1,2,4,5-Tetroxane. Molecules (Basel, Switzerland) 29 (14) (2024)
Gemma M Rodriguez-Muñiz, Ana B Fraga-Timiraos, Miriam Navarrete-Miguel, Ana Borrego-Sánchez, Daniel Roca-Sanjuán, Miguel A Miranda, Virginie Lhiaubet-Vallet
Reductive Photocycloreversion of Cyclobutane Dimers Triggered by Guanines. The Journal of organic chemistry (2023)
Yee Jun Tham, Nina Sarnela, Siddharth Iyer, Qinyi Li, Hélène Angot, Lauriane L J Quéléver, Ivo Beck, Tiia Laurila, Lisa J Beck, Matthew Boyer, Javier Carmona-García, Ana Borrego-Sánchez, Daniel Roca-Sanjuán, Otso Peräkylä, Roseline C Thakur, Xu-Cheng He, Qiaozhi Zha, Dean Howard, Byron Blomquist, Stephen D Archer, Ludovic Bariteau, Kevin Posman, Jacques Hueber, Detlev Helmig, Hans-Werner Jacobi, Heikki Junninen, Markku Kulmala, Anoop S Mahajan, Andreas Massling, Henrik Skov, Mikko Sipilä, Joseph S Francisco, Julia Schmale, Tuija Jokinen, Alfonso Saiz-Lopez
Widespread detection of chlorine oxyacids in the Arctic atmosphere. Nature communications 14 (1) (2023)
Abdelazim M A Abdelgawwad, Daniel Roca-Sanjuán, Antonio Francés-Monerris
Electronic spectroscopy of gemcitabine and derivatives for possible dual-action photodynamic therapy applications. The Journal of chemical physics 159 (22) (2023)
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I Bokarev, Ria Broer, Roberto Cacciari, Paul B Calio, Rebecca K Carlson, Rafael C Couto, Luis Cerdán, Liviu F Chibotaru, Nicholas F Chilton, Jonathan Richard Church, Irene Conti, Sonia Coriani, Juliana Cuéllar-Zuquin, Razan E Daoud, Nike Dattani, Piero Decleva, Coen de Graaf, Mickaël G Delcey, Luca De Vico, Werner Dobrautz, Sijia S Dong, Rulin Feng, Nicolas Ferré, Michael Filatov Gulak, Soumen Ghosh, Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R Hennefarth, Matthew R Hermes, Chad E Hoyer, Miquel Huix-Rotllant, Vishal Kumar Jaiswal, Andy Kaiser, Danil S Kaliakin, Marjan Khamesian, Daniel S King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar, Ernst Dennis Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand, Isabella C D Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov, Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S Oakley, Massimo Olivucci, Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla, Andrew M Sand, Igor Schapiro, Thais R Scott, Javier Segarra-Marti, Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard, Yinan Shu, Jakob K Staab, Tjerk P Straatsma, Lasse Kragh Sørensen, Bruno Nunes Cabral Tenorio, Donald G Truhlar, Liviu Ungur, Morgane Vacher, Valera Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David R Yarkony, Chen Zhou, J Patrick Zobel, Roland Lindh
The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry. Journal of chemical theory and computation (2023)
Abdelazim M A Abdelgawwad, Daniel Roca-Sanjuán, Antonio Francés-Monerris
Electronic spectroscopy of gemcitabine and derivatives for possible dual-action photodynamic therapy applications. The Journal of chemical physics 159 (22) (2023)
Yee Jun Tham, Nina Sarnela, Siddharth Iyer, Qinyi Li, Hélène Angot, Lauriane L J Quéléver, Ivo Beck, Tiia Laurila, Lisa J Beck, Matthew Boyer, Javier Carmona-García, Ana Borrego-Sánchez, Daniel Roca-Sanjuán, Otso Peräkylä, Roseline C Thakur, Xu-Cheng He, Qiaozhi Zha, Dean Howard, Byron Blomquist, Stephen D Archer, Ludovic Bariteau, Kevin Posman, Jacques Hueber, Detlev Helmig, Hans-Werner Jacobi, Heikki Junninen, Markku Kulmala, Anoop S Mahajan, Andreas Massling, Henrik Skov, Mikko Sipilä, Joseph S Francisco, Julia Schmale, Tuija Jokinen, Alfonso Saiz-Lopez
Widespread detection of chlorine oxyacids in the Arctic atmosphere. Nature communications 14 (1) (2023)
Yee Jun Tham, Nina Sarnela, Siddharth Iyer, Qinyi Li, Hélène Angot, Lauriane L J Quéléver, Ivo Beck, Tiia Laurila, Lisa J Beck, Matthew Boyer, Javier Carmona-García, Ana Borrego-Sánchez, Daniel Roca-Sanjuán, Otso Peräkylä, Roseline C Thakur, Xu-Cheng He, Qiaozhi Zha, Dean Howard, Byron Blomquist, Stephen D Archer, Ludovic Bariteau, Kevin Posman, Jacques Hueber, Detlev Helmig, Hans-Werner Jacobi, Heikki Junninen, Markku Kulmala, Anoop S Mahajan, Andreas Massling, Henrik Skov, Mikko Sipilä, Joseph S Francisco, Julia Schmale, Tuija Jokinen, Alfonso Saiz-Lopez
Widespread detection of chlorine oxyacids in the Arctic atmosphere. Nature communications 14 (1) (2023)
Antonio Francés-Monerris, Javier Carmona-García, Tarek Trabelsi, Alfonso Saiz-Lopez, James R Lyons, Joseph S Francisco, Daniel Roca-Sanjuán
Photochemical and thermochemical pathways to S 2 and polysulfur formation in the atmosphere of Venus. Nature communications 13 (1) (2022)
Juan Carlos Roldao, Eliezer Fernando Oliveira, Begoña Milián-Medina, Johannes Gierschner, Daniel Roca-Sanjuán
Accurate Calculation of Excited-State Absorption for Small-to-Medium-Sized Conjugated Oligomers: Multiconfigurational Treatment vs Quadratic Response TD-DFT. Journal of chemical theory and computation 18 (9) (2022)
Bo Long, Yu Xia, Junwei Lucas Bao, Javier Carmona-García, Juan Carlos Gómez Martín, John M C Plane, Alfonso Saiz-Lopez, Daniel Roca-Sanjuán, Joseph S Francisco
Reaction of SO 3 with HONO 2 and Implications for Sulfur Partitioning in the Atmosphere. Journal of the American Chemical Society 144 (20) (2022)
Luis Cerdán, Daniel Roca-Sanjuán
Reconstruction of Nuclear Ensemble Approach Electronic Spectra Using Probabilistic Machine Learning. Journal of chemical theory and computation 18 (5) (2022)
Francesc Bejarano, Diego Gutiérrez, José Catalán-Toledo, Daniel Roca-Sanjuán, Johannes Gierschner, Jaume Veciana, Marta Mas-Torrent, Concepció Rovira, Núria Crivillers
Photoswitching activation of a ferrocenyl-stilbene analogue by its covalent grafting to gold. Physical chemistry chemical physics : PCCP 24 (10) (2022)
Abdelazim M A Abdelgawwad, Jewel Ann Maria Xavier, Daniel Roca-Sanjuán, Clara Viňas, Francesc Teixidor, Antonio Francés-Monerris
Light-Induced On/Off Switching of the Surfactant Character of the o-Cobaltabis(dicarbollide) Anion with No Covalent Bond Alteration. Angewandte Chemie (International ed. in English) 60 (49) (2021)
Javier Carmona-García, Tarek Trabelsi, Antonio Francés-Monerris, Carlos A Cuevas, Alfonso Saiz-Lopez, Daniel Roca-Sanjuán, Joseph S Francisco
Photochemistry of HOSO2 and SO3 and Implications for the Production of Sulfuric Acid. Journal of the American Chemical Society 143 (44) (2021)
Miriam Navarrete-Miguel, Antonio Francés-Monerris, Miguel A Miranda, Virginie Lhiaubet-Vallet, Daniel Roca-Sanjuán
Theoretical Study on the Photo-Oxidation and Photoreduction of an Azetidine Derivative as a Model of DNA Repair. Molecules (Basel, Switzerland) 26 (10) (2021)
Theodoros Mikroulis, M Consuelo Cuquerella, Angelo Giussani, Anna Pantelia, Gemma M Rodriguez-Muñiz, Georgios Rotas, Daniel Roca-Sanjuán, Miguel A Miranda, Georgios C Vougioukalakis
Building a Functionalizable, Potent Chemiluminescent Agent: A Rational Design Study on 6,8-Substituted Luminol Derivatives. The Journal of organic chemistry 86 (17) (2021)
Ana Borrego-Sánchez, Madjid Zemmouche, Javier Carmona-García, Antonio Francés-Monerris, Pep Mulet, Isabelle Navizet, Daniel Roca-Sanjuán
Multiconfigurational Quantum Chemistry Determinations of Absorption Cross Sections (σ) in the Gas Phase and Molar Extinction Coefficients (ε) in Aqueous Solution and Air-Water Interface. Journal of chemical theory and computation 17 (6) (2021)
Alejandro Blasco-Brusola, Miriam Navarrete-Miguel, Angelo Giussani, Daniel Roca-Sanjuán, Ignacio Vayá, Miguel A Miranda
Regiochemical memory in the adiabatic photolysis of thymine-derived oxetanes. A combined ultrafast spectroscopic and CASSCF/CASPT2 computational study. Physical chemistry chemical physics : PCCP 22 (35) (2020)
Antonio Francés-Monerris, Javier Carmona-García, A Ulises Acuña, Juan Z Dávalos, Carlos A Cuevas, Douglas E Kinnison, Joseph S Francisco, Alfonso Saiz-Lopez, Daniel Roca-Sanjuán
Photodissociation Mechanisms of Major Mercury(II) Species in the Atmospheric Chemical Cycle of Mercury. Angewandte Chemie (International ed. in English) 59 (19) (2020)
Jonathan Bould, Kamil Lang, Kaplan Kirakci, Luis Cerdán, Daniel Roca-Sanjuán, Antonio Francés-Monerris, William Clegg, Paul G Waddell, Marcel Fuciman, Tomáš Polívka, Michael G S Londesborough
A Series of Ultra-Efficient Blue Borane Fluorophores. Inorganic chemistry 59 (23) (2020)
Angelo Giussani, Pooria Farahani, Daniel Martínez-Muñoz, Marcus Lundberg, Roland Lindh, Daniel Roca-Sanjuán
Molecular Basis of the Chemiluminescence Mechanism of Luminol. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (20) (2019)
Antonio Francés-Monerris, Josef Holub, Daniel Roca-Sanjuán, Drahomír Hnyk, Kamil Lang, Josep M Oliva-Enrich
Photochromic System among Boron Hydrides: The Hawthorne Rearrangement. The journal of physical chemistry letters 10 (20) (2019)
Marco Marazzi, Hugo Gattuso, Angelo Giussani, Hong Zhang, Miriam Navarrete-Miguel, Christophe J Chipot, Wensheng Cai, Daniel Roca-Sanjuán, François Dehez, Antonio Monari
Induced Night Vision by Singlet-Oxygen-Mediated Activation of Rhodopsin. The journal of physical chemistry letters 10 (22) (2019)
Alfonso Saiz-Lopez, A Ulises Acuña, Tarek Trabelsi, Javier Carmona-García, Juan Z Dávalos-Prado, Daniel Rivero, Carlos A Cuevas, Douglas E Kinnison, Sebastian P Sitkiewicz, Daniel Roca-Sanjuán, Joseph S Francisco
Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process. Journal of the American Chemical Society 141 (22) (2019)
Michael G S Londesborough, Jiří Dolanský, Jonathan Bould, Jakub Braborec, Kaplan Kirakci, Kamil Lang, Ivana Císařová, Pavel Kubát, Daniel Roca-Sanjuán, Antonio Francés-Monerris, Lenka Slušná, Eva Noskovičová, Dušan Lorenc
Effect of Iodination on the Photophysics of the Laser Borane anti-B18H22: Generation of Efficient Photosensitizers of Oxygen. Inorganic chemistry 58 (15) (2019)
Leandro A Estrada, Antonio Francés-Monerris, Igor Schapiro, Massimo Olivucci, Daniel Roca-Sanjuán
Mechanism of excited state deactivation of indan-1-ylidene and fluoren-9-ylidene malononitriles. Physical chemistry chemical physics : PCCP 18 (48) (2018)
Antonio Francés-Monerris, Hugo Gattuso, Daniel Roca-Sanjuán, Iñaki Tuñón, Marco Marazzi, Elise Dumont, Antonio Monari
Dynamics of the excited-state hydrogen transfer in a (dG)·(dC) homopolymer: intrinsic photostability of DNA. Chemical science 9 (41) (2018)
Ana B Fraga-Timiraos, Antonio Francés-Monerris, Gemma M Rodriguez-Muñiz, Miriam Navarrete-Miguel, Miguel A Miranda, Daniel Roca-Sanjuán, Virginie Lhiaubet-Vallet
Experimental and Theoretical Study on the Cycloreversion of a Nucleobase-Derived Azetidine by Photoinduced Electron Transfer. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (57) (2018)
Felipe A Augusto, Antonio Francés-Monerris, Ignacio Fdez Galván, Daniel Roca-Sanjuán, Erick L Bastos, Wilhelm J Baader, Roland Lindh
Mechanism of activated chemiluminescence of cyclic peroxides: 1,2-dioxetanes and 1,2-dioxetanones. Physical chemistry chemical physics : PCCP 19 (5) (2018)
Morgane Vacher, Ignacio Fdez Galván, Bo-Wen Ding, Stefan Schramm, Romain Berraud-Pache, Panče Naumov, Nicolas Ferré, Ya-Jun Liu, Isabelle Navizet, Daniel Roca-Sanjuán, Wilhelm J Baader, Roland Lindh
Chemi- and Bioluminescence of Cyclic Peroxides. Chemical reviews 118 (15) (2018)
Juan Aranda, Antonio Francés-Monerris, Iñaki Tuñón, Daniel Roca-Sanjuán
Regioselectivity of the OH Radical Addition to Uracil in Nucleic Acids. A Theoretical Approach Based on QM/MM Simulations. Journal of chemical theory and computation 13 (10) (2017)
Quansong Li, Angelo Giussani, Javier Segarra-Martí, Artur Nenov, Ivan Rivalta, Alexander A Voityuk, Shaul Mukamel, Daniel Roca-Sanjuán, Marco Garavelli, Lluís Blancafort
Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate. Chemistry (Weinheim an der Bergstrasse, Germany) 22 (22) (2016)

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Publication Activity (10 Years)

Top Topics

Top Venues

Daniel Roca-Sanjuán