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Journal Articles

Impact of tip curvature and edge rounding on the plasmonic properties of gold nanorods and their silver-coated counterparts

Charles Vernier, Hervé Portalès
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 124711 (2024)
https://doi.org/10.1063/5.0228434
Published: September 2024
View article titled, Impact of tip curvature and edge rounding on the plasmonic properties of gold nanorods and their silver-coated counterparts
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Journal Articles

Computing linear optical spectra in the presence of nonadiabatic effects on graphics processing units using molecular dynamics and tensor-network approaches

Editor’s Pick
Evan Lambertson, Dayana Bashirova, Kye E. Hunter, Benhardt Hansen, Tim J. Zuehlsdorff
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 114101 (2024)
https://doi.org/10.1063/5.0224316
Published: September 2024
View article titled, Computing linear optical spectra in the presence of nonadiabatic effects on graphics processing units using molecular dynamics and tensor-network approaches
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Journal Articles

Hydration structure and dynamics of phosphoric acid and its anions—Ultrafast 2D-IR spectroscopy and ab initio molecular dynamics simulations

Achintya Kundu, Benjamin P. Fingerhut, Thomas Elsaesser
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 084503 (2024)
https://doi.org/10.1063/5.0216640
Published: August 2024
View article titled, Hydration structure and dynamics of phosphoric acid and its anions—Ultrafast 2D-IR spectroscopy and <em>ab initio</em> molecular dynamics simulations
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Journal Articles

Size-dependent growth dynamics of silver–gold core–shell nanoparticles monitored by in situ second harmonic generation and extinction spectroscopy

Daniel A. Babayode, Stena C. Peterson, Louis H. Haber
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 084710 (2024)
https://doi.org/10.1063/5.0217901
Published: August 2024
View article titled, Size-dependent growth dynamics of silver–gold core–shell nanoparticles monitored by <em>in situ</em> second harmonic generation and extinction spectroscopy
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Journal Articles

Effects of swift heavy ions on metal nanoparticles embedded in silica: Using linearly polarized light to monitor the elongation kinetics

Olivia Borrell-Grueiro, Yanela Mendez-González, Miguel L. Crespillo, José Olivares, Diego J. Ramos-Ramos, Elena Junquera, Luis Bañares, Andrés Guerrero-Martínez, Antonio Rivera, Ovidio Peña-Rodríguez
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054706 (2024)
https://doi.org/10.1063/5.0219685
Published: August 2024
View article titled, Effects of swift heavy ions on metal nanoparticles embedded in silica: Using linearly polarized light to monitor the elongation kinetics
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Journal Articles

Quantifying carrier density in monolayer MoS2 by optical spectroscopy

Editor’s Pick
Alexis R. Myers, Dana B. Sulas-Kern, Rao Fei, Debjit Ghoshal, M. Alejandra Hermosilla-Palacios, Jeffrey L. Blackburn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 044706 (2024)
https://doi.org/10.1063/5.0213720
Published: July 2024
View article titled, Quantifying carrier density in monolayer MoS<sub>2</sub> by optical spectroscopy
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Journal Articles

Calculating absorption and fluorescence spectra for chromophores in solution with ensemble Franck–Condon methods

Ajay Khanna, Sapana V. Shedge, Tim J. Zuehlsdorff, Christine M. Isborn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 044121 (2024)
https://doi.org/10.1063/5.0217080
Published: July 2024
View article titled, Calculating absorption and fluorescence spectra for chromophores in solution with ensemble Franck–Condon methods
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Journal Articles

Localized surface plasmon energy dissipation in bimetallic core–shell nanostructures

Lixia Sang, Zhiyong Ren, Yue Zhao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 034106 (2024)
https://doi.org/10.1063/5.0204144
Published: July 2024
View article titled, Localized surface plasmon energy dissipation in bimetallic core–shell nanostructures
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Journal Articles

Insights into thiocyanate-enhanced photoluminescence in CsPbBr3 nanocrystals by ultrafast two-dimensional infrared spectroscopy

Arghyadeep Basu, Nathan Rafisiman, Saar Shaek, Rachel Lifer, Vivek Yadav, Yaron Kauffmann, Yehonadav Bekenstein, Lev Chuntonov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 174701 (2024)
https://doi.org/10.1063/5.0200873
Published: May 2024
View article titled, Insights into thiocyanate-enhanced photoluminescence in CsPbBr<sub>3</sub> nanocrystals by ultrafast two-dimensional infrared spectroscopy
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Journal Articles

PigmentHunter: A point-and-click application for automated chlorophyll-protein simulations

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S. Ahad, C. Lin, M. Reppert
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 154111 (2024)
https://doi.org/10.1063/5.0198443
Published: April 2024
View article titled, PigmentHunter: A point-and-click application for automated chlorophyll-protein simulations
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Includes: Supplementary data
Journal Articles

Linear response of molecular polaritons

Joel Yuen-Zhou, Arghadip Koner
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 154107 (2024)
https://doi.org/10.1063/5.0183683
Published: April 2024
View article titled, Linear response of molecular polaritons
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Journal Articles

Plasmonic couplings in Ag–Au heterodimers

Saghar Gomrok, Brinton King Eldridge, Elise A. Chaffin, James W. Barr, Xiaohua Huang, Thang B. Hoang, Yongmei Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 144706 (2024)
https://doi.org/10.1063/5.0196256
Published: April 2024
View article titled, Plasmonic couplings in Ag–Au heterodimers
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Includes: Supplementary data
Journal Articles

Excitons, optical spectra, and electronic properties of semiconducting Hf-based MXenes

Nilesh Kumar, Miroslav Kolos, Sitangshu Bhattacharya, František Karlický
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 124707 (2024)
https://doi.org/10.1063/5.0197238
Published: March 2024
View article titled, Excitons, optical spectra, and electronic properties of semiconducting Hf-based MXenes
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Includes: Supplementary data
Journal Articles

Silver induced chirality controlled spin filtration observed in ss-DNA functionalized with MoS2

Abhinandan Kumar, Subrata Majumder
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 124702 (2024)
https://doi.org/10.1063/5.0192066
Published: March 2024
View article titled, Silver induced chirality controlled spin filtration observed in ss-DNA functionalized with MoS<sub>2</sub>
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Journal Articles

Predissociation dynamics of D2 revealed by variation in fragment anisotropy parameters along the Fano profile

Peng Wang, Shiyan Gong, Yixuan Li, Yuxiang Mo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 094307 (2024)
https://doi.org/10.1063/5.0197408
Published: March 2024
View article titled, Predissociation dynamics of D<sub>2</sub> revealed by variation in fragment anisotropy parameters along the Fano profile
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Includes: Supplementary data
Journal Articles

Intense charge transfer plasmons in golden nanoparticle dimers connected by conductive molecular linkers

A. S. Fedorov, M. A. Visotin, A. V. Lukyanenko, V. S. Gerasimov, A. S. Aleksandrovsky
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 084110 (2024)
https://doi.org/10.1063/5.0183334
Published: February 2024
View article titled, Intense charge transfer plasmons in golden nanoparticle dimers connected by conductive molecular linkers
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Journal Articles

Taming the third order cumulant approximation to linear optical spectroscopy

Lucas Allan, Tim J. Zuehlsdorff
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 074108 (2024)
https://doi.org/10.1063/5.0182745
Published: February 2024
View article titled, Taming the third order cumulant approximation to linear optical spectroscopy
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Includes: Supplementary data
Journal Articles

Effects of plasmon coupling on circular dichroism of chiral nanoparticle arrays

Shuki Kuroki, Takuya Ishida, Tetsu Tatsuma
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 064702 (2024)
https://doi.org/10.1063/5.0185286
Published: February 2024
View article titled, Effects of plasmon coupling on circular dichroism of chiral nanoparticle arrays
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Includes: Supplementary data
Journal Articles

Efficient formulation of multitime generalized quantum master equations: Taming the cost of simulating 2D spectra

Editor’s Pick
Thomas Sayer, Andrés Montoya-Castillo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 044108 (2024)
https://doi.org/10.1063/5.0185578
Published: January 2024
View article titled, Efficient formulation of multitime generalized quantum master equations: Taming the cost of simulating 2D spectra
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Journal Articles

On selection rules in two-dimensional terahertz–infrared–visible spectroscopy

Pankaj Seliya, Mischa Bonn, Maksim Grechko
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 034201 (2024)
https://doi.org/10.1063/5.0179041
Published: January 2024
View article titled, On selection rules in two-dimensional terahertz–infrared–visible spectroscopy
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