Photoprotection: extending lessons learned from studying natural sunscreens to the design of artificial sunscreen constituents von Baker, Lewis A, Marchetti, Barbara, Karsili, Tolga N. V, Stavros, Vasilios G, Ashfold, Michael N. R

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Mechanism of Photocatalytic Water Splitting with Graphitic Carbon Nitride: Photochemistry of the Heptazine–Water Complex von Ehrmaier, Johannes, Karsili, Tolga N. V, Sobolewski, Andrzej L, Domcke, Wolfgang

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Ab Initio Study of Potential Ultrafast Internal Conversion Routes in Oxybenzone, Caffeic Acid, and Ferulic Acid: Implications for Sunscreens von Karsili, Tolga N. V, Marchetti, Barbara, Ashfold, Michael N. R, Domcke, Wolfgang

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The states that hide in the shadows: the potential role of conical intersections in the ground state unimolecular decay of a Criegee intermediate von Marchetti, Barbara, Esposito, Vincent J, Bush, Rachel E, Karsili, Tolga N. V

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Photoinduced C-H bond fission in prototypical organic molecules and radicals von Ashfold, Michael N. R, Ingle, Rebecca A, Karsili, Tolga N. V, Zhang, Jingsong

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Comparative study of methodologies for calculating metastable states of small to medium-sized molecules von Thodika, Mushir, Fennimore, Mark, Karsili, Tolga N. V., Matsika, Spiridoula

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A Simple and Efficient Method for Simulating the Electronic Absorption Spectra of Criegee Intermediates: Benchmarking on CH2OO and CH3CHOO von McCoy, Julia C, Marchetti, Barbara, Thodika, Mushir, Karsili, Tolga N. V

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Electronic Absorption Spectroscopy and Photochemistry of Criegee Intermediates von Karsili, Tolga N. V., Marchetti, Barbara, Lester, Marsha I., Ashfold, Michael N. R.

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Photodissociation Dynamics of CH2OO on Multiple Potential Energy Surfaces: Experiment and Theory von Esposito, Vincent J, Liu, Tianlin, Wang, Guanghan, Caracciolo, Adriana, Vansco, Michael F, Marchetti, Barbara, Karsili, Tolga N. V, Lester, Marsha I

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Oxidative Addition of Singlet Oxygen to Model Building Blocks of the Aerucyclamide A Peptide: A First-Principles Approach von Karsili, Tolga N. V, Marchetti, Barbara

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Photodissociation dynamics of methyl vinyl ketone oxide: A four-carbon unsaturated Criegee intermediate from isoprene ozonolysis von Wang, Guanghan, Liu, Tianlin, Caracciolo, Adriana, Vansco, Michael F., Trongsiriwat, Nisalak, Walsh, Patrick J., Marchetti, Barbara, Karsili, Tolga N. V., Lester, Marsha I.

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Modeling the Conformer-Dependent Electronic Absorption Spectra and Photolysis Rates of Methyl Vinyl Ketone Oxide and Methacrolein Oxide von McCoy, Julia C, Léger, Spencer J, Frey, Conrad F, Vansco, Michael F, Marchetti, Barbara, Karsili, Tolga N. V

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UV photodissociation dynamics of the acetone oxide Criegee intermediate: experiment and theory von Wang, Guanghan, Liu, Tianlin, Zou, Meijun, Karsili, Tolga N. V, Lester, Marsha I

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A 'bottom up', ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs von Marchetti, Barbara, Karsili, Tolga N V, Ashfold, Michael N R, Domcke, Wolfgang

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Achieving high selectivity towards electro-conversion of CO2 using In-doped Bi derived from metal-organic frameworks von Guan, Yayu, Zhang, Xurui, Zhang, Yanxing, Karsili, Tolga N.V., Fan, Mengyang, Liu, Yuyu, Marchetti, Barbara, Zhou, Xiao-Dong

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Exploring Norrish type I and type II reactions: an ab initio mechanistic study highlighting singlet-state mediated chemistry von Marchetti, Barbara, Karsili, Tolga N V, Ashfold, Michael N R

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Photocatalytic Water Splitting with the Acridine Chromophore: A Computational Study von Liu, Xiaojun, Karsili, Tolga N. V, Sobolewski, Andrzej L, Domcke, Wolfgang

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Electronic Spectroscopy and Dissociation Dynamics of Vinyl-Substituted Criegee Intermediates: 2‑Butenal Oxide and Comparison with Methyl Vinyl Ketone Oxide and Methacrolein Oxide I... von Wang, Guanghan, Liu, Tianlin, Zou, Meijun, Sojdak, Christopher A., Kozlowski, Marisa C., Karsili, Tolga N. V., Lester, Marsha I.

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Vibrational spectroscopy and dissociation dynamics of cyclohexyl hydroperoxide von Roy, Tarun Kumar, Qian, Yujie, Karlsson, Elizabeth, Rabayah, Rawan, Sojdak, Christopher A, Kozlowski, Marisa C, Karsili, Tolga N. V, Lester, Marsha I

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Theoretical insights into the photo-protective mechanisms of natural biological sunscreens: building blocks of eumelanin and pheomelanin von Marchetti, Barbara, Karsili, Tolga N V

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