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Works (46)

Impact of solvation on the electronic resonances in uracil

Physical Chemistry Chemical Physics
2025 | Journal article
DOI: 10.1039/D4CP04333B
Contributors: Divya Tripathi; Maneesh Pyla; Achintya Kumar Dutta; Spiridoula Matsika
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Modeling the effect of substituents on the electronically excited states of indole derivatives

Journal of Computational Chemistry
2025-01-05 | Journal article
DOI: 10.1002/jcc.27502
Contributors: Jordan Howe; Salsabil Abou‐Hatab; Spiridoula Matsika
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Excited state hydrogen or proton transfer pathways in microsolvated n-cyanoindole fluorescent probes

Physical Chemistry Chemical Physics
2024 | Journal article
DOI: 10.1039/D3CP04844F
Contributors: Salsabil Abou-Hatab; Spiridoula Matsika
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Detecting Centrosymmetric Molecular Ions at an Interface with Vibrational Sum Frequency Generation Spectroscopy

The Journal of Physical Chemistry C
2024-12-19 | Journal article
DOI: 10.1021/acs.jpcc.4c05318
Contributors: Bijoya Mandal; Somaiyeh Dadashi; Koichi Kumagai; Tomonori Hirano; Tatsuya Ishiyama; Salsabil Abou-Hatab; Yunqian Zou; Spiridoula Matsika; Akihiro Morita; Eric Borguet
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Exploring electronic resonances in pyridine: Insights from orbital stabilization techniques

The Journal of Chemical Physics
2024-10-21 | Journal article
DOI: 10.1063/5.0232581
Contributors: Maneesh Pyla; Spiridoula Matsika
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Molecular Dynamical and Quantum Mechanical Exploration of the Site-Specific Dynamics of Cy3 Dimers Internally Linked to dsDNA

The Journal of Physical Chemistry B
2024-08-15 | Journal article
DOI: 10.1021/acs.jpcb.4c03115
Contributors: Mohammed I. Sorour; Kurt A. Kistler; Andrew H. Marcus; Spiridoula Matsika
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Time‐resolved photoelectron spectroscopy via trajectory surface hopping

WIREs Computational Molecular Science
2024-05 | Journal article
DOI: 10.1002/wcms.1715
Contributors: Pratip Chakraborty; Spiridoula Matsika
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Quantum contributions to Coulomb-explosion imaging revealed by trajectory-surface-hopping molecular dynamics

Physical Review A
2024-05-10 | Journal article
DOI: 10.1103/PhysRevA.109.052813
Contributors: Vaibhav Singh; Chuan Cheng; Thomas Weinacht; Spiridoula Matsika
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Unravelling the Origin of the Vibronic Spectral Signatures in an Excitonically Coupled Indocarbocyanine Cy3 Dimer

The Journal of Physical Chemistry A
2023-11-16 | Journal article
DOI: 10.1021/acs.jpca.3c06090
Contributors: Mohammed I. Sorour; Andrew H. Marcus; Spiridoula Matsika
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Excited-state dynamics of o-nitrophenol studied with UV pump–VUV probe time-resolved photoelectron and photoion spectroscopy

The Journal of Chemical Physics
2023-04-14 | Journal article
DOI: 10.1063/5.0146399
Contributors: Samuel McClung; Dakshitha Abeygunewardane; Spiridoula Matsika; Thomas Weinacht
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Mechanistic Aspects of the Effect of Flanking Nucleotide Sequence on CPD Formation and CPD Self-Repair in DNA

The Journal of Physical Chemistry B
2023-01-12 | Journal article
DOI: 10.1021/acs.jpcb.2c06680
Contributors: Wook Lee; Spiridoula Matsika
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Stable excited dication: trapping on the S1 state of formaldehyde dication after strong field ionization

Physical Chemistry Chemical Physics
2022 | Journal article
DOI: 10.1039/D2CP02604J
Contributors: Vaibhav Singh; Chuan Cheng; Thomas Weinacht; Spiridoula Matsika
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Effective Fragment Potentials for Microsolvated Excited and Anionic States

The Journal of Physical Chemistry A
2022-11-17 | Journal article
DOI: 10.1021/acs.jpca.2c06122
Contributors: Cate S. Anstöter; Salsabil Abou-Hatab; Mushir Thodika; Spiridoula Matsika
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Spectroscopy and Theoretical Modeling of Tetracene Anion Resonances

The Journal of Physical Chemistry Letters
2022-11-10 | Journal article
DOI: 10.1021/acs.jpclett.2c02931
Contributors: Cole R. Sagan; Cate S. Anstöter; Mushir Thodika; Kenneth D. Wilson; Spiridoula Matsika; Etienne Garand
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Strong Field Double Ionization of Formaldehyde Investigated Using Momentum Resolved Covariance Imaging and Trajectory Surface Hopping

The Journal of Physical Chemistry A
2022-10-13 | Journal article
DOI: 10.1021/acs.jpca.2c04650
Contributors: Chuan Cheng; Vaibhav Singh; Spiridoula Matsika; Thomas Weinacht
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Nonadiabatic Excited State Dynamics of Organic Chromophores: Take-Home Messages

The Journal of Physical Chemistry A
2022-09-15 | Journal article
DOI: 10.1021/acs.jpca.2c04671
Contributors: Pratip Chakraborty; Yusong Liu; Samuel McClung; Thomas Weinacht; Spiridoula Matsika
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Modeling the Electronic Absorption Spectra of the Indocarbocyanine Cy3

Molecules
2022-06-24 | Journal article
DOI: 10.3390/molecules27134062
Contributors: Mohammed I. Sorour; Andrew H. Marcus; Spiridoula Matsika
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Projected Complex Absorbing Potential Multireference Configuration Interaction Approach for Shape and Feshbach Resonances

Journal of Chemical Theory and Computation
2022-06-14 | Journal article
DOI: 10.1021/acs.jctc.1c01310
Contributors: Mushir Thodika; Spiridoula Matsika
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A Unique QP Partitioning and Siegert Width Using Real-Valued Continuum-Remover Potential

Journal of Chemical Theory and Computation
2022-05-10 | Journal article
DOI: 10.1021/acs.jctc.1c01096
Contributors: Y. Sajeev; Mushir Thodika; Spiridoula Matsika
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Conformer-Specific Dissociation Dynamics in Dimethyl Methylphosphonate Radical Cation

Molecules
2022-03-31 | Journal article
DOI: 10.3390/molecules27072269
Contributors: Vaibhav Singh; Hugo A. López Peña; Jacob M. Shusterman; Patricia Vindel-Zandbergen; Katharine Moore Tibbetts; Spiridoula Matsika
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Exact-Factorization-Based Surface Hopping for Multistate Dynamics

The Journal of Physical Chemistry Letters
2022-02-24 | Journal article
DOI: 10.1021/acs.jpclett.1c04132
Contributors: Patricia Vindel-Zandbergen; Spiridoula Matsika; Neepa T. Maitra
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Effect of dynamic correlation on the ultrafast relaxation of uracil in the gas phase

Faraday Discussions
2021 | Journal article
DOI: 10.1039/D0FD00110D
Contributors: Pratip Chakraborty; Yusong Liu; Thomas Weinacht; Spiridoula Matsika
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Accurate Modeling of Excitonic Coupling in Cyanine Dye Cy3

The Journal of Physical Chemistry A
2021-09-16 | Journal article
DOI: 10.1021/acs.jpca.1c05556
Contributors: Mohammed I. Sorour; Kurt A. Kistler; Andrew H. Marcus; Spiridoula Matsika
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Modeling the Ultrafast Electron Attachment Dynamics of Solvated Uracil

The Journal of Physical Chemistry A
2021-08-19 | Journal article
DOI: 10.1021/acs.jpca.1c05288
Contributors: Cate S. Anstöter; Mark DelloStritto; Michael L. Klein; Spiridoula Matsika
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Electronic Structure Methods for the Description of Nonadiabatic Effects and Conical Intersections

Chemical Reviews
2021-08-11 | Journal article
DOI: 10.1021/acs.chemrev.1c00074
Contributors: Spiridoula Matsika
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Time Resolved Photoelectron Spectroscopy as a Test of Electronic Structure and Nonadiabatic Dynamics

The Journal of Physical Chemistry Letters
2021-06-03 | Journal article
DOI: 10.1021/acs.jpclett.1c00926
Contributors: Pratip Chakraborty; Yusong Liu; Samuel McClung; Thomas Weinacht; Spiridoula Matsika
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Modeling solvation effects on absorption and fluorescence spectra of indole in aqueous solution

The Journal of Chemical Physics
2021-02-14 | Journal article
DOI: 10.1063/5.0038342
Contributors: Salsabil Abou-Hatab; Vincenzo Carnevale; Spiridoula Matsika
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Benchmarking Quantum Mechanical Methods for the Description of Charge-Transfer States in π-Stacked Nucleobases

Journal of Chemical Theory and Computation
2021-01-12 | Journal article
DOI: 10.1021/acs.jctc.0c00973
Contributors: Camilo Zuluaga; Vincent A. Spata; Spiridoula Matsika
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Stabilization of the Triplet Biradical Intermediate of 5‐Methylcytosine Enhances Cyclobutane Pyrimidine Dimer (CPD) Formation in DNA

Chemistry – A European Journal
2020-11-06 | Journal article
DOI: 10.1002/chem.202002834
Contributors: Wook Lee; Spiridoula Matsika
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Understanding the Interplay between the Nonvalence and Valence States of the Uracil Anion upon Monohydration

The Journal of Physical Chemistry A
2020-11-05 | Journal article
DOI: 10.1021/acs.jpca.0c07407
Contributors: Cate S. Anstöter; Spiridoula Matsika
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Description of Two-Particle One-Hole Electronic Resonances Using Orbital Stabilization Methods

The Journal of Physical Chemistry A
2020-10-29 | Journal article
DOI: 10.1021/acs.jpca.0c07904
Contributors: Mushir Thodika; Nathan Mackouse; Spiridoula Matsika
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Excited state dynamics of cis,cis-1,3-cyclooctadiene: UV pump VUV probe time-resolved photoelectron spectroscopy

The Journal of Chemical Physics
2020-08-21 | Journal article
DOI: 10.1063/5.0006920
Contributors: Yusong Liu; Pratip Chakraborty; Spiridoula Matsika; Thomas Weinacht
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Excited state dynamics of cis,cis-1,3-cyclooctadiene: Non-adiabatic trajectory surface hopping

The Journal of Chemical Physics
2020-05-07 | Journal article
DOI: 10.1063/5.0005558
Contributors: Pratip Chakraborty; Yusong Liu; Thomas Weinacht; Spiridoula Matsika
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Role of charge transfer states into the formation of cyclobutane pyrimidine dimers in DNA

Faraday Discussions
2019 | Journal article
DOI: 10.1039/C8FD00184G
Contributors: Wook Lee; Spiridoula Matsika
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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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Theoretical Investigation of Positional Substitution and Solvent Effects on n-Cyanoindole Fluorescent Probes

The Journal of Physical Chemistry B
2019-08-29 | Journal article
DOI: 10.1021/acs.jpcb.9b05961
Contributors: Salsabil Abou-Hatab; Spiridoula Matsika
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Electron-induced origins of prebiotic building blocks of sugars: mechanism of self-reactions of a methanol anion dimer

Physical Chemistry Chemical Physics
2018 | Journal article
DOI: 10.1039/C8CP00148K
Contributors: Tolga N. V. Karsili; Mark A. Fennimore; 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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Introduction: Theoretical Modeling of Excited State Processes

Chemical Reviews
2018-08-08 | Journal article
DOI: 10.1021/acs.chemrev.8b00436
Contributors: Spiridoula Matsika; Anna I. Krylov
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Electronic Resonances of Nucleobases Using Stabilization Methods

The Journal of Physical Chemistry A
2018-04-26 | Journal article
DOI: 10.1021/acs.jpca.8b01523
Contributors: Mark A. Fennimore; 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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Conformational and electronic effects on the formation of anti cyclobutane pyrimidine dimers in G-quadruplex structures

Physical Chemistry Chemical Physics
2017 | Journal article
DOI: 10.1039/C6CP05604K
Contributors: Wook Lee; Spiridoula Matsika
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Correction: Core-excited and shape resonances of uracil

Physical Chemistry Chemical Physics
2017 | Journal article
DOI: 10.1039/C7CP90241G
Contributors: Mark A. Fennimore; Spiridoula Matsika
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Mechanisms of H and CO loss from the uracil nucleobase following low energy electron irradiation

Physical Chemistry Chemical Physics
2017 | Journal article
DOI: 10.1039/C7CP01345K
Contributors: Mark A. Fennimore; Tolga N. V. Karsili; Spiridoula Matsika
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Controlling Photorelaxation in Uracil with Shaped Laser Pulses: A Theoretical Assessment

Journal of the American Chemical Society
2017-04-12 | Journal article
DOI: 10.1021/jacs.6b12033
Contributors: Daniel Keefer; Sebastian Thallmair; Spiridoula Matsika; Regina de Vivie-Riedle
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Substituent Effects on the Absorption and Fluorescence Properties of Anthracene

The Journal of Physical Chemistry A
2017-02-16 | Journal article
DOI: 10.1021/acs.jpca.6b12031
Contributors: Salsabil Abou-Hatab; Vincent A. Spata; Spiridoula Matsika
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