List of QCEXVAL publications in 2019:
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“Induced Night Vision by Singlet-Oxygen-Mediated Activation of Rhodopsin” Marco Marazzi, Hugo Gattuso, Angelo Giussani, Hong Zhang, Miriam Navarrete-Miguel, Christophe Chipot, Wensheng Cai, Daniel Roca-Sanjuán, François Dehez and Antonio Monari The Journal of Physical Chemistry Letters (2019), Vol. 10, 7133-7140 |
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“Photochromic System among Boron Hydrides: The Hawthorne Rearrangement” Antonio Francés-Monerris, Josef Holub, Daniel Roca-Sanjuán, Drahomír Hnyk, Kamil Lang and Josep M. Oliva-Enrich The Journal of Physical Chemistry Letters (2019), Vol. 10, 6202-6207 |
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“Hydroxyl radical addition to thymine and cytosine and photochemistry of the adducts at the C6 position” Vicent J. Borràs, Antonio Francés‐Monerris and Daniel Roca‐Sanjuán ChemPhotoChem (2019), Vol. 3, 889-896 |
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“Effect of Iodination on the Photophysics of the Laser Borane anti-B18H22: Generation of Efficient Photosensitizers of Oxygen” 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 and Dušan Lorenc Inorganic Chemistry (2019), Vol. 58, 10248-10259 |
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“Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process” Alfonso Saiz-Lopez, A. Ulises Acuña, Tarek Trabelsi, Javier Carmona-García, Juan Z. Dávalos, Daniel Rivero, Carlos A. Cuevas, Douglas E. Kinnison, Sebastian P. Sitkiewicz, Daniel Roca-Sanjuán and Joseph S. Francisco Journal of the American Chemical Society (2019), Vol. 141, 8698-8702 |
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“A Theoretical Analisis of the Structure and Properties of B26H30 Isomers. Consequences to the Laser and Semiconductor Doping Capabilities of Large Borane Cluster” Jan Macháček, Antonio Francés-Monerris, Naiwrit Karmodak, Daniel Roca-Sanjuán, Jindřich Fanfrlík, Michael G. S. Londesborough, Drahommir Hnyk and Eluvathingal D. Jemmis Physical Chemistry Chemical Physics (2019), Vol. 21, 12916-12923 |
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“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” Sebastian P. Sitkiewicz, Daniel Rivero, Josep M. Oliva-Enrich, Alfonso Saiz-Lopez and Daniel Roca-Sanjuán Physical Chemistry Chemical Physics (2019), Vol. 21, 455-467 |
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“Molecular Basis of the Chemiluminescence Mechanism of Luminol” Angelo Giussani, Pooria Farahani, Daniel Martínez-Muñoz, Marcus Lundberg, Roland Lindh and Daniel Roca-Sanjuán Chemistry A European Journal (2019), Vol. 25, 5202-5213 |
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“Inverted Energy Gap Law for the Nonradiative Decay in Fluorescent Floppy Molecules: Larger Fluorescence Quantum Yields for Smaller Energy Gaps” Junqing Shi, Maria A. Izquierdo, Sangyoon Oh, Soo Young Park, Begoña Milián-Medina, Daniel Roca-Sanjuán and Johannes Gierschner Organic Chemistry Frontiers (2019), Vol. 6, 1948-1954 |
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“Excited-state non-radiative decay in stilbenoid compounds: an ab initio quantum-chemistry study on size and substituent effects” María A. Izquierdo, Junqing Shi, Sangyoon Oh, Soo Young Park, Begoña Milián-Medina, Johannes Gierschner and Daniel Roca-Sanjuán Physical Chemistry Chemical Physics (2019), Vol. 21, 22429-22439 |
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