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Works (32)

The role of solar photolysis in the atmospheric removal of methacrolein oxide and the methacrolein oxide—water van‐der Waals complex in pristine environments

Photochemistry and Photobiology
2025-03 | Journal article
DOI: 10.1111/php.14007
Contributors: Lily M. Guidry; Londyn A. Bardash; Aylin Yigiter; Satyam Ravi; Barbara Marchetti; Tolga N. V. Karsili
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UV Photodissociation Dynamics of Organic Hydroperoxides: Experiment and Theory

The Journal of Physical Chemistry A
2025-03-20 | Journal article
DOI: 10.1021/acs.jpca.5c00762
Contributors: Meijun Zou; Emmanuel Moya Cruz; Christopher A. Sojdak; Marisa C. Kozlowski; Tolga N. V. Karsili; Marsha I. Lester
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Vibrational spectroscopy and dissociation dynamics of cyclohexyl hydroperoxide

Chemical Science
2024 | Journal article
DOI: 10.1039/D4SC00151F
Contributors: Tarun Kumar Roy; Yujie Qian; Elizabeth Karlsson; Rawan Rabayah; Christopher A. Sojdak; Marisa C. Kozlowski; Tolga N. V. Karsili; Marsha I. Lester
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Electronic Spectroscopy of the Halogenated Criegee Intermediate, ClCHOO: Experiment and Theory

The Journal of Physical Chemistry A
2024-12-26 | Journal article
DOI: 10.1021/acs.jpca.4c05705
Contributors: Elizabeth Karlsson; Rawan Rabayah; Tianlin Liu; Emmanuel Moya Cruz; Marisa C. Kozlowski; Tolga N. V. Karsili; Marsha I. Lester
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UV photodissociation dynamics of the acetone oxide Criegee intermediate: experiment and theory

Physical Chemistry Chemical Physics
2023 | Journal article
DOI: 10.1039/D3CP00207A
Contributors: Guanghan Wang; Tianlin Liu; Meijun Zou; Tolga N. V. Karsili; Marsha I. Lester
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Modeling the Ground- and Excited-State Unimolecular Decay of the Simplest Fluorinated Criegee Intermediate, HFCOO, Formed from the Ozonolysis of Hydrofluoroolefin Refrigerants

The Journal of Physical Chemistry A
2023-08-10 | Journal article
DOI: 10.1021/acs.jpca.3c01530
Contributors: Courtney A. Poirier; Lily M. Guidry; Jordyn M. Ratliff; Vincent J. Esposito; Barbara Marchetti; Tolga N. V. Karsili
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Insights into the Ultrafast Photodissociation Dynamics of Isoprene‐Derived Criegee Intermediates

Photochemistry and Photobiology
2023-07 | Journal article
DOI: 10.1111/php.13736
Contributors: Ernest Antwi; Niamh A. Packer; Jordyn M. Ratliff; Barbara Marchetti; Tolga N. V. Karsili
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Electronic Absorption Spectroscopy and Photochemistry of Criegee Intermediates

Photochemistry and Photobiology
2023-01 | Journal article
DOI: 10.1111/php.13665
Contributors: Tolga N. V. Karsili; Barbara Marchetti; Marsha I. Lester; Michael N. R. Ashfold
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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 Isomers

The Journal of Physical Chemistry A
2023-01-12 | Journal article
DOI: 10.1021/acs.jpca.2c08025
Contributors: Guanghan Wang; Tianlin Liu; Meijun Zou; Christopher A. Sojdak; Marisa C. Kozlowski; Tolga N. V. Karsili; Marsha I. Lester
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A direct dynamics study of the exotic photochemistry of the simplest Criegee intermediate, CH2OO

Physical Chemistry Chemical Physics
2022 | Journal article
DOI: 10.1039/D2CP01860H
Contributors: Ernest Antwi; Rachel E. Bush; Barbara Marchetti; Tolga N. V. Karsili
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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

Physical Chemistry Chemical Physics
2022 | Journal article
DOI: 10.1039/D1CP02601A
Contributors: Barbara Marchetti; Vincent J. Esposito; Rachel E. Bush; Tolga N. V. Karsili
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Comparing the Excited State Dynamics of CH2OO, the Simplest Criegee Intermediate, Following Vertical versus Adiabatic Excitation

The Journal of Physical Chemistry A
2022-09-15 | Journal article
DOI: 10.1021/acs.jpca.2c05118
Contributors: Ernest Antwi; Jordyn M. Ratliff; Michael N. R. Ashfold; Tolga N. V. Karsili
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Insights into the Ultrafast Dynamics of CH2OO and CH3CHOO Following Excitation to the Bright 1ππ* State: The Role of Singlet and Triplet States

Photochemistry and Photobiology
2022-07 | Journal article
DOI: 10.1111/php.13560
Contributors: Vincent J. Esposito; Olivia Werba; Sarah A. Bush; Barbara Marchetti; Tolga N. V. Karsili
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Modeling the Conformer-Dependent Electronic Absorption Spectra and Photolysis Rates of Methyl Vinyl Ketone Oxide and Methacrolein Oxide

The Journal of Physical Chemistry A
2022-02-03 | Journal article
DOI: 10.1021/acs.jpca.1c08381
Contributors: Julia C. McCoy; Spencer J. Léger; Conrad F. Frey; Michael F. Vansco; Barbara Marchetti; Tolga N. V. Karsili
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MOF-based electrocatalysts for high-efficiency CO2 conversion: structure, performance, and perspectives

Journal of Materials Chemistry A
2021 | Journal article
DOI: 10.1039/D1TA05960B
Contributors: Xuanyu Wang; Mengyang Fan; Yayu Guan; Yuyu Liu; Minmin Liu; Tolga N. V. Karsili; Jin Yi; Xiao-Dong Zhou; Jiujun Zhang
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Photodissociation dynamics of methyl vinyl ketone oxide: A four-carbon unsaturated Criegee intermediate from isoprene ozonolysis

The Journal of Chemical Physics
2021-11-07 | Journal article
DOI: 10.1063/5.0068664
Contributors: Guanghan Wang; Tianlin Liu; Adriana Caracciolo; Michael F. Vansco; Nisalak Trongsiriwat; Patrick J. Walsh; Barbara Marchetti; Tolga N. V. Karsili; Marsha I. Lester
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Photodissociation Dynamics of CH2OO on Multiple Potential Energy Surfaces: Experiment and Theory

The Journal of Physical Chemistry A
2021-08-05 | Journal article
DOI: 10.1021/acs.jpca.1c03643
Contributors: Vincent J. Esposito; Tianlin Liu; Guanghan Wang; Adriana Caracciolo; Michael F. Vansco; Barbara Marchetti; Tolga N. V. Karsili; Marsha I. Lester
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A Simple and Efficient Method for Simulating the Electronic Absorption Spectra of Criegee Intermediates: Benchmarking on CH2OO and CH3CHOO

The Journal of Physical Chemistry A
2021-05-20 | Journal article
DOI: 10.1021/acs.jpca.1c01074
Contributors: Julia C. McCoy; Barbara Marchetti; Mushir Thodika; Tolga N. V. Karsili
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Ultraviolet photodissociation of gas-phase transition metal complexes: dicarbonylcyclopentadienyliodoiron(II)

Molecular Physics
2021-01-17 | Journal article
DOI: 10.1080/00268976.2020.1813343
Contributors: Christopher S. Hansen; Barbara Marchetti; Tolga N. V. Karsili; Michael N. R. Ashfold
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Affordable Setup for Studying Photochemistry in Action in Undergraduate Teaching Laboratories: Principles and Applications

Journal of Chemical Education
2020-08-11 | Journal article
DOI: 10.1021/acs.jchemed.0c00354
Contributors: Jennifer B. Tran; Julia C. McCoy; Lori M. Bailey; Brody P. McDaniel; Ryan L. Simon; Barbara Marchetti; Tolga N. V. Karsili
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Hydrogen–Deuterium Exchange in Basic Near-Critical and Supercritical Media: An Experimental and Theoretical Study

The Journal of Physical Chemistry A
2020-04-02 | Journal article
DOI: 10.1021/acs.jpca.9b10892
Contributors: Pia R. Alburquerque; B. Ramu Ramachandran; Thomas Junk; Tolga N. V. Karsili
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Oxidative Addition of Singlet Oxygen to Model Building Blocks of the Aerucyclamide A Peptide: A First-Principles Approach

The Journal of Physical Chemistry A
2020-01-23 | Journal article
DOI: 10.1021/acs.jpca.9b10285
Contributors: Tolga N. V. Karsili; Barbara Marchetti
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Exploring Norrish type I and type II reactions: an ab initio mechanistic study highlighting singlet-state mediated chemistry

Physical Chemistry Chemical Physics
2019 | Journal article
DOI: 10.1039/C8CP07292B
Contributors: Barbara Marchetti; Tolga N. V. Karsili; Michael N. R. Ashfold
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Mechanisms of photoreactivity in hydrogen-bonded adenine–H2O complexes

Physical Chemistry Chemical Physics
2019 | Journal article
DOI: 10.1039/C8CP05305G
Contributors: Xiuxiu Wu; Johannes Ehrmaier; Andrzej L. Sobolewski; Tolga N. V. Karsili; Wolfgang Domcke
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Photoinduced C–H bond fission in prototypical organic molecules and radicals

Physical Chemistry Chemical Physics
2019 | Journal article
DOI: 10.1039/C8CP07454B
Contributors: Michael N. R. Ashfold; Rebecca A. Ingle; Tolga N. V. Karsili; Jingsong Zhang
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Comparative study of methodologies for calculating metastable states of small to medium-sized molecules

The Journal of Chemical Physics
2019-12-28 | Journal article
DOI: 10.1063/1.5134700
Contributors: Mushir Thodika; Mark Fennimore; Tolga N. V. Karsili; Spiridoula Matsika
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Mechanistic insights into photoinduced damage of DNA and RNA nucleobases in the gas phase and in bulk solution

Faraday Discussions
2018 | Journal article
DOI: 10.1039/C7FD00188F
Contributors: Pratip Chakraborty; Tolga N. V. Karsili; Barbara Marchetti; Spiridoula Matsika
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Origins of Photodamage in Pheomelanin Constituents: Photochemistry of 4-Hydroxybenzothiazole

The Journal of Physical Chemistry A
2018-03-01 | Journal article
DOI: 10.1021/acs.jpca.7b09690
Contributors: Tolga N. V. Karsili; Barbara Marchetti; Spiridoula Matsika
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Photofragmentation dynamics of N,N-dimethylformamide following excitation at 193 nm

The Journal of Chemical Physics
2017-07-07 | Journal article
DOI: 10.1063/1.4983704
Contributors: M. Laura Lipciuc; Sara H. Gardiner; Tolga N. V. Karsili; Jason W. L. Lee; David Heathcote; Michael N. R. Ashfold; Claire Vallance
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The near ultraviolet photodissociation dynamics of 2- and 3-substituted thiophenols: Geometric vs. electronic structure effects

The Journal of Chemical Physics
2017-07-07 | Journal article
DOI: 10.1063/1.4980035
Contributors: Barbara Marchetti; Tolga N. V. Karsili; Maicol Cipriani; Christopher S. Hansen; Michael N. R. Ashfold
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Photodissociation dynamics of the pyridinyl radical: Time-dependent quantum wave-packet calculations

The Journal of Chemical Physics
2017-03-28 | Journal article
DOI: 10.1063/1.4978283
Contributors: Johannes Ehrmaier; David Picconi; Tolga N. V. Karsili; Wolfgang Domcke
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Near ultraviolet photochemistry of 2-bromo- and 2-iodothiophene: Revealing photoinduced ring opening in the gas phase?

The Journal of Chemical Physics
2015-06-14 | Journal article
DOI: 10.1063/1.4921315
Contributors: Barbara Marchetti; Tolga N. V. Karsili; Orla Kelly; Panos Kapetanopoulos; Michael N. R. Ashfold
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Peer review (25 reviews for 7 publications/grants)

Review activity for Journal of chemical education. (1)
Review activity for Journal of organic chemistry. (1)
Review activity for Journal of physical chemistry. (2)
Review activity for Journal of the American Chemical Society. (1)
Review activity for The journal of physical chemistry letters. (3)
Review activity for The journal of physical chemistry. (3)
Review activity for The journal of physical chemistry. (14)
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