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Journal Articles

Conformations of borneol and isoborneol in the gas phase: Their monomers and microsolvation clusters

Pablo Pinacho, María Mar Quesada-Moreno, Melanie Schnell
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 194305 (2023)
https://doi.org/10.1063/5.0168947
Published: November 2023
View article titled, Conformations of borneol and isoborneol in the gas phase: Their monomers and microsolvation clusters
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Includes: Supplementary data
Journal Articles

Exploring the impact of ions on oxygen K-edge X-ray absorption spectroscopy in NaCl solution using the GW-Bethe-Salpeter-equation approach

Fujie Tang, Kefeng Shi, Xifan Wu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 174501 (2023)
https://doi.org/10.1063/5.0167999
Published: November 2023
View article titled, Exploring the impact of ions on oxygen K-edge X-ray absorption spectroscopy in NaCl solution using the GW-Bethe-Salpeter-equation approach
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Journal Articles

The chemical physics of electrode-electrolyte interfaces

Jahan M. Dawlaty, Susan Perkin, Mathieu Salanne, Adam P. Willard
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 150401 (2023)
https://doi.org/10.1063/5.0177099
Published: October 2023
View article titled, The chemical physics of electrode-electrolyte interfaces
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Journal Articles

Molecular dynamics simulations of the dielectric constants of salt-free and salt-doped polar solvents

Cameron J. Shock, Mark J. Stevens, Amalie L. Frischknecht, Issei Nakamura
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 134507 (2023)
https://doi.org/10.1063/5.0165481
Published: October 2023
View article titled, Molecular dynamics simulations of the dielectric constants of salt-free and salt-doped polar solvents
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Journal Articles

Continuous medium approach to approximate the high concentrated aqueous electrolyte with different types of electrochemical structure

Marion Maffre, Xuanze Wang, Jie Deng, Siraprapha Deebansok, Yachao Zhu, Frédéric Favier, Daniel Bélanger, Olivier Fontaine
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 104708 (2023)
https://doi.org/10.1063/5.0167465
Published: September 2023
View article titled, Continuous medium approach to approximate the high concentrated aqueous electrolyte with different types of electrochemical structure
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Includes: Supplementary data
Journal Articles

A new method based on pseudo-Zernike polynomials to analyze and extract dynamical and spectral information from the 2DIR spectra

Anit Gurung, Daniel G. Kuroda
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 034201 (2023)
https://doi.org/10.1063/5.0154601
Published: July 2023
View article titled, A new method based on pseudo-Zernike polynomials to analyze and extract dynamical and spectral information from the 2DIR spectra
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Includes: Supplementary data
Journal Articles

Transport coefficients for ion and solvent coupling. The case of the lithium-ion battery electrolyte

Signe Kjelstrup, Astrid Fagertun Gunnarshaug, Øystein Gullbrekken, Sondre K. Schnell, Anders Lervik
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 034104 (2023)
https://doi.org/10.1063/5.0158623
Published: July 2023
View article titled, Transport coefficients for ion and solvent coupling. The case of the lithium-ion battery electrolyte
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Journal Articles

Influence of H-bonds on the photoionization of aromatic chromophores in water: The aniline molecule

Iker Lamas, Jorge González, Asier Longarte, Raúl Montero
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 191102 (2023)
https://doi.org/10.1063/5.0147503
Published: May 2023
View article titled, Influence of H-bonds on the photoionization of aromatic chromophores in water: The aniline molecule
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Includes: Supplementary data
Journal Articles

Dielectric relaxation and dielectric decrement in ionic acetamide deep eutectic solvents: Spectral decomposition and comparison with experiments

Dhrubajyoti Maji, Ranjit Biswas
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 174503 (2023)
https://doi.org/10.1063/5.0147378
Published: May 2023
View article titled, Dielectric relaxation and dielectric decrement in ionic acetamide deep eutectic solvents: Spectral decomposition and comparison with experiments
Open the PDF for Dielectric relaxation and dielectric decrement in ionic acetamide deep eutectic solvents: Spectral decomposition and comparison with experiments in another window
Includes: Supplementary data
Journal Articles

Vertical detachment energies of ammonia cluster anions using self-interaction-corrected methods

Peter Ufondu, Po-Hao Chang, Tunna Baruah, Rajendra R. Zope
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 164308 (2023)
https://doi.org/10.1063/5.0139728
Published: April 2023