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Journal Articles

Tunneling barriers in an extended Marcus theory of electron transfer: Incorporating effects of the bridging medium

Ravinder Kumar, Ravindra Venkatramani
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 244109 (2024)
https://doi.org/10.1063/5.0235076
Published: December 2024
View articletitled, Tunneling barriers in an extended Marcus theory of electron transfer: Incorporating effects of the bridging medium
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Journal Articles

Conditions for EPR detection of chirality-induced spin selectivity in spin-polarized radical pairs in isotropic solution

Yi Ren, P. J. Hore
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 145104 (2023)
https://doi.org/10.1063/5.0171700
Published: October 2023
View articletitled, Conditions for EPR detection of chirality-induced spin selectivity in spin-polarized radical pairs in isotropic solution
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Journal Articles

A dynamical model for Brownian molecular motors driven by inelastic electron tunneling

Federico D. Ribetto, Sebastián E. Deghi, Hernán L. Calvo, Raúl A. Bustos-Marún
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 164102 (2022)
https://doi.org/10.1063/5.0113504
Published: October 2022
View articletitled, A dynamical model for Brownian molecular motors driven by inelastic electron tunneling
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Journal Articles

Comparing the nature of quantum plasmonic excitations for closely spaced silver and gold dimers

Zahra Jamshidi, Narges Asadi-Aghbolaghi, Razieh Morad, Erfan Mahmoudi, Souloke Sen, Malik Maaza, Lucas Visscher
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 074102 (2022)
https://doi.org/10.1063/5.0079258
Published: February 2022
View articletitled, Comparing the nature of quantum plasmonic excitations for closely spaced silver and gold dimers
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Includes: Supplementary data
Journal Articles

Size and charge-state dependence of detachment energies of polyanionic silver clusters

N. Iwe, K. Raspe, M. Müller, F. Martinez, L. Schweikhard, K.-H. Meiwes-Broer, J. Tiggesbäumker
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 164303 (2021)
https://doi.org/10.1063/5.0068278
Published: October 2021
View articletitled, Size and charge-state dependence of detachment energies of polyanionic silver clusters
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Journal Articles

Classical master equations and broadened classical master equations: Some analytical results

Igor G. Medvedev
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 114116 (2021)
https://doi.org/10.1063/5.0064325
Published: September 2021
View articletitled, Classical master equations and broadened classical master equations: Some analytical results
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Journal Articles

Modeling cyclic voltammetry during solid electrolyte interphase formation: Baseline scenario of a dynamically evolving tunneling barrier resulting from a homogeneous single-phase insulating film

Hans-Georg Steinrück
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 174703 (2021)
https://doi.org/10.1063/5.0049591
Published: May 2021
View articletitled, Modeling cyclic voltammetry during solid electrolyte interphase formation: Baseline scenario of a dynamically evolving tunneling barrier resulting from a homogeneous single-phase insulating film
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Includes: Supplementary data
Journal Articles

A model for dynamical solvent control of molecular junction electronic properties

Maxim F. Gelin, Daniel S. Kosov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 044107 (2021)
https://doi.org/10.1063/5.0039328
Published: January 2021
View articletitled, A model for dynamical solvent control of molecular junction electronic properties
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Journal Articles

Monitoring damage of self-assembled monolayers using metastable excited helium atoms

Georgios Stratis, Jordan D. Zesch, Henry S. Pan, Lauren J. Webb, Mark G. Raizen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 034704 (2021)
https://doi.org/10.1063/5.0036827
Published: January 2021
View articletitled, Monitoring damage of self-assembled monolayers using metastable excited helium atoms
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Journal Articles

Non-adiabatic effects of nuclear motion in quantum transport of electrons: A self-consistent Keldysh–Langevin study

Vincent F. Kershaw, Daniel S. Kosov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 154101 (2020)
https://doi.org/10.1063/5.0023275
Published: October 2020
View articletitled, Non-adiabatic effects of nuclear motion in quantum transport of electrons: A self-consistent Keldysh–Langevin study
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Journal Articles

Thermoelectric properties of a double-dot system in serial configuration within the Coulomb blockade regime

Natalya A. Zimbovskaya
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 124712 (2020)
https://doi.org/10.1063/5.0021260
Published: September 2020
View articletitled, Thermoelectric properties of a double-dot system in serial configuration within the Coulomb blockade regime
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Journal Articles

Tunneling matrix element and tunneling pathways of protein electron transfer calculated with a fragment molecular orbital method

Hirotaka Kitoh-Nishioka, Yasuteru Shigeta, Koji Ando
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 104104 (2020)
https://doi.org/10.1063/5.0018423
Published: September 2020
View articletitled, Tunneling matrix element and tunneling pathways of protein electron transfer calculated with a fragment molecular orbital method
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Includes: Supplementary data
Journal Articles

Bias induced spin state transition mediated by electron excitations

Hua Hao, Ting Jia, Xiaohong Zheng, Peng Liu, Zhi Zeng
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 134301 (2020)
https://doi.org/10.1063/1.5126968
Published: April 2020
View articletitled, Bias induced spin state transition mediated by electron excitations
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Includes: Supplementary data
Journal Articles

Angular dependence of strong field sequential double ionization for neon and acetylene simulated with time-dependent configuration interaction using CIS and CISD-IP

Mi Kyung Lee, Wen Li, H. Bernhard Schlegel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 064106 (2020)
https://doi.org/10.1063/1.5133659
Published: February 2020
View articletitled, Angular dependence of strong field sequential double ionization for neon and acetylene simulated with time-dependent configuration interaction using CIS and CISD-IP
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Journal Articles

Electron counting statistics for non-additive environments

Conor McConnell, Ahsan Nazir
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 054104 (2019)
https://doi.org/10.1063/1.5095838
Published: August 2019
View articletitled, Electron counting statistics for non-additive environments
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Journal Articles

Counting quantum jumps: A summary and comparison of fixed-time and fluctuating-time statistics in electron transport

Editor’s Pick
Samuel L. Rudge, Daniel S. Kosov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 034107 (2019)
https://doi.org/10.1063/1.5108518
Published: July 2019
View articletitled, Counting quantum jumps: A summary and comparison of fixed-time and fluctuating-time statistics in electron transport
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Journal Articles

Electron transfer in confined electromagnetic fields

Alexander Semenov, Abraham Nitzan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 174122 (2019)
https://doi.org/10.1063/1.5095940
Published: May 2019
View articletitled, Electron transfer in confined electromagnetic fields
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Journal Articles

Waiting time between charging and discharging processes in molecular junctions

Daniel S. Kosov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 164105 (2018)
https://doi.org/10.1063/1.5049770
Published: October 2018
View articletitled, Waiting time between charging and discharging processes in molecular junctions
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Journal Articles

Relating Franck-Condon blockade to redox chemistry in the single-particle picture

Kirk H. Bevan, Antoine Roy-Gobeil, Yoichi Miyahara, Peter Grutter
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 104109 (2018)
https://doi.org/10.1063/1.5043480
Published: September 2018
View articletitled, Relating Franck-Condon blockade to redox chemistry in the single-particle picture
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Includes: Supplementary data
Journal Articles

Telegraph noise in Markovian master equation for electron transport through molecular junctions

Daniel S. Kosov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 184108 (2018)
https://doi.org/10.1063/1.5033354
Published: May 2018
View articletitled, Telegraph noise in Markovian master equation for electron transport through molecular junctions
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