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Journal Articles

Liquid water radiolysis induced by secondary electrons generated from MeV-energy carbon ions

Hidetsugu Tsuchida, Tomoya Tezuka, Takeshi Kai, Yusuke Matsuya, Takuya Majima, Manabu Saito
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 104503 (2024)
https://doi.org/10.1063/5.0227465
Published: September 2024
View article titled, Liquid water radiolysis induced by secondary electrons generated from MeV-energy carbon ions
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Journal Articles

Unveiling the electron-induced ionization cross sections and fragmentation mechanisms of 3,4-dihydro-2H-pyran

Tomasz J. Wasowicz, Michal K. Jurkowski, Allison L. Harris, Ivan Ljubić
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 064304 (2024)
https://doi.org/10.1063/5.0218160
Published: August 2024
View article titled, Unveiling the electron-induced ionization cross sections and fragmentation mechanisms of 3,4-dihydro-2H-pyran
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Journal Articles

MolDStruct: Modeling the dynamics and structure of matter exposed to ultrafast x-ray lasers with hybrid collisional-radiative/molecular dynamics

Ibrahim Dawod, Sebastian Cardoch, Tomas André, Emiliano De Santis, Juncheng E, Adrian P. Mancuso, Carl Caleman, Nicusor Timneanu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 184112 (2024)
https://doi.org/10.1063/5.0197225
Published: May 2024
View article titled, <sc>MolDStruct</sc>: Modeling the dynamics and structure of matter exposed to ultrafast x-ray lasers with hybrid collisional-radiative/molecular dynamics
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Journal Articles

Shape resonance induced electron attachment to cytosine: The effect of aqueous media

Pooja Verma, Madhubani Mukherjee, Debarati Bhattacharya, Idan Haritan, Achintya Kumar Dutta
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 214303 (2023)
https://doi.org/10.1063/5.0157576
Published: December 2023
View article titled, Shape resonance induced electron attachment to cytosine: The effect of aqueous media
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Includes: Supplementary data
Journal Articles

Electron attachment to fluorodeoxyglucose: Dissociation dynamics in a molecule of near-zero electron affinity

Eugene Arthur-Baidoo, Milan Ončák, Stephan Denifl
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 074301 (2022)
https://doi.org/10.1063/5.0101726
Published: August 2022
View article titled, Electron attachment to fluorodeoxyglucose: Dissociation dynamics in a molecule of near-zero electron affinity
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Includes: Supplementary data
Journal Articles

Environmental modifications of atomic properties: The ground and 1s2p excited states of compressed helium

N. C. Pyper, T. C. Naginey, Colm T. Whelan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 214301 (2021)
https://doi.org/10.1063/5.0066626
Published: December 2021
View article titled, Environmental modifications of atomic properties: The ground and 1<em>s</em>2<em>p</em> excited states of compressed helium
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Journal Articles

Bayesian estimation of the hydroxyl radical diffusion coefficient at low temperature and high pressure from atomistic molecular dynamics

Carter T. Butts, Rachel W. Martin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 194504 (2021)
https://doi.org/10.1063/5.0064995
Published: November 2021
View article titled, Bayesian estimation of the hydroxyl radical diffusion coefficient at low temperature and high pressure from atomistic molecular dynamics
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Includes: Supplementary data
Journal Articles

Dissociative electron attachment to amide bond containing molecules: N-ethylformamide and N-ethylacetamide

Dipayan Chakraborty, Lauren Eckermann, Ian Carmichael, Sylwia Ptasińska
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 224306 (2020)
https://doi.org/10.1063/5.0029614
Published: December 2020
View article titled, Dissociative electron attachment to amide bond containing molecules: N-ethylformamide and N-ethylacetamide
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Journal Articles

Water mediated electron attachment to nucleobases: Surface-bound vs bulk solvated electrons

Madhubani Mukherjee, Divya Tripathi, Achintya Kumar Dutta
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 044305 (2020)
https://doi.org/10.1063/5.0010509
Published: July 2020
View article titled, Water mediated electron attachment to nucleobases: Surface-bound vs bulk solvated electrons
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Includes: Supplementary data
Journal Articles

Efficient ab initio calculation of electronic stopping in disordered systems via geometry pre-sampling: Application to liquid water

Bin Gu, Brian Cunningham, Daniel Muñoz Santiburcio, Fabiana Da Pieve, Emilio Artacho, Jorge Kohanoff
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 034113 (2020)
https://doi.org/10.1063/5.0014276
Published: July 2020
View article titled, Efficient <em>ab initio</em> calculation of electronic stopping in disordered systems via geometry pre-sampling: Application to liquid water
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Includes: Supplementary data
Journal Articles

Dynamics of rare gas solids irradiated by electron beams

J. Candanedo, C. Caleman, N. Tîmneanu, O. Beckstein, J. C. H. Spence
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 144303 (2020)
https://doi.org/10.1063/1.5134801
Published: April 2020
View article titled, Dynamics of rare gas solids irradiated by electron beams
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Includes: Supplementary data
Journal Articles

Improved theoretical calculations for electron-impact ionization of DNA analogue molecules

Esam Ali, H. S. Chakraborty, D. H. Madison
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 124303 (2020)
https://doi.org/10.1063/1.5143148
Published: March 2020
View article titled, Improved theoretical calculations for electron-impact ionization of DNA analogue molecules
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Journal Articles

Solvent effects on the π * shape resonances of uracil

L. M. Cornetta, K. Coutinho, M. T. do N. Varella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 084301 (2020)
https://doi.org/10.1063/1.5139459
Published: February 2020
View article titled, Solvent effects on the π * shape resonances of uracil
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Includes: Supplementary data
Journal Articles

Femtosecond bond breaking and charge dynamics in ultracharged amino acids

Oscar Grånäs, Nicusor Timneanu, Ibrahim Eliah Dawod, Davide Ragazzon, Sebastian Trygg, Petros Souvatzis, Tomas Edvinsson, Carl Caleman
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 144307 (2019)
https://doi.org/10.1063/1.5116814
Published: October 2019
View article titled, Femtosecond bond breaking and charge dynamics in ultracharged amino acids
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Includes: Supplementary data
Journal Articles

Low energy secondary electron induced damage of condensed nucleotides

A. D. McKee, M. J. Schaible, R. A. Rosenberg, S. Kundu, T. M. Orlando
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 204709 (2019)
https://doi.org/10.1063/1.5090491
Published: May 2019
View article titled, Low energy secondary electron induced damage of condensed nucleotides
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Includes: Supplementary data
Journal Articles

Secondary electron-induced biomolecular fragmentation in fast heavy-ion irradiation of microdroplets of glycine solution

Kensei Kitajima, Hidetsugu Tsuchida, Takuya Majima, Manabu Saito
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 095102 (2019)
https://doi.org/10.1063/1.5081883
Published: March 2019
View article titled, Secondary electron-induced biomolecular fragmentation in fast heavy-ion irradiation of microdroplets of glycine solution
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Journal Articles

Theoretical study of (e, 2e) triple differential cross sections of tetrahydrofuran using multicenter distorted-wave method

Xiaojie Xu, Maomao Gong, Xingyu Li, Song Bin Zhang, Xiangjun Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 244104 (2018)
https://doi.org/10.1063/1.5029428
Published: June 2018
View article titled, Theoretical study of (e, 2e) triple differential cross sections of tetrahydrofuran using multicenter distorted-wave method
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Journal Articles

Dissociation of biomolecules in liquid environments during fast heavy-ion irradiation

Shinji Nomura, Hidetsugu Tsuchida, Akihiro Kajiwara, Shintaro Yoshida, Takuya Majima, Manabu Saito
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 225103 (2017)
https://doi.org/10.1063/1.5009367
Published: December 2017
View article titled, Dissociation of biomolecules in liquid environments during fast heavy-ion irradiation
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Journal Articles

Development of an interatomic potential for the simulation of defects, plasticity, and phase transformations in titanium

M. I. Mendelev, T. L. Underwood, G. J. Ackland
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 154102 (2016)
https://doi.org/10.1063/1.4964654
Published: October 2016
View article titled, Development of an interatomic potential for the simulation of defects, plasticity, and phase transformations in titanium
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Includes: Supplementary data
Journal Articles

Communication: Electron ionization of DNA bases

M. A. Rahman, E. Krishnakumar
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 161102 (2016)
https://doi.org/10.1063/1.4948412
Published: April 2016
View article titled, Communication: Electron ionization of DNA bases
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