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Journal Articles

Photodissociation dynamics of H2S+ via the A2A1 (0, 8, 0) state

Yuxin Tan, Yaling Wang, Chang Luo, Zhiwen Luan, Jie Li, Daofu Yuan, Xiaoguo Zhou, Xingan Wang, Xueming Yang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 194301 (2024)
https://doi.org/10.1063/5.0235630
Published: November 2024
View article titled, Photodissociation dynamics of H<sub>2</sub>S<sup>+</sup> via the <em>A</em><sup>2</sup><em>A</em><sub>1</sub> (0, 8, 0) state
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Includes: Supplementary data
Journal Articles

Revisiting the global minimum of Au10 clusters

Jungyoon Kim, Wonil Seo, Jeongmin Park, Ingyeong Kim, Eunji Park, Joonghan Kim
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184301 (2024)
https://doi.org/10.1063/5.0234144
Published: November 2024
View article titled, Revisiting the global minimum of Au<sub>10</sub> clusters
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Journal Articles

Predicting kinetics of spin-dependent reactions in an external magnetic field with nonadiabatic statistical theory

Mitra Rooein, Sergey A. Varganov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 164306 (2024)
https://doi.org/10.1063/5.0232469
Published: October 2024
View article titled, Predicting kinetics of spin-dependent reactions in an external magnetic field with nonadiabatic statistical theory
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Journal Articles

Chemical information from XPS: Theory and experiment for Ni(OH)2

Paul S. Bagus, Connie J. Nelin, Sebastian T. Mergelsberg, Nabajit Lahiri, Eugene S. Ilton
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 164701 (2024)
https://doi.org/10.1063/5.0229962
Published: October 2024
View article titled, Chemical information from XPS: Theory and experiment for Ni(OH)<sub>2</sub>
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Journal Articles

Monte Carlo methods in the manifold of Hartree–Fock–Bogoliubov wave functions

Ettore Vitali, Peter Rosenberg, Shiwei Zhang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 134116 (2024)
https://doi.org/10.1063/5.0228450
Published: October 2024
View article titled, Monte Carlo methods in the manifold of Hartree–Fock–Bogoliubov wave functions
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Journal Articles

Electronic structure of zaykovite Rh3Se4, prediction, and analysis of physical properties of related materials: Pd3Se4, Ir3Se4, and Pt3Se4

Leonid S. Taran, Sergey V. Eremeev, Sergey V. Streltsov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 134710 (2024)
https://doi.org/10.1063/5.0232257
Published: October 2024
View article titled, Electronic structure of zaykovite Rh<sub>3</sub>Se<sub>4</sub>, prediction, and analysis of physical properties of related materials: Pd<sub>3</sub>Se<sub>4</sub>, Ir<sub>3</sub>Se<sub>4</sub>, and Pt<sub>3</sub>Se<sub>4</sub>
Open the PDF for Electronic structure of zaykovite Rh<sub>3</sub>Se<sub>4</sub>, prediction, and analysis of physical properties of related materials: Pd<sub>3</sub>Se<sub>4</sub>, Ir<sub>3</sub>Se<sub>4</sub>, and Pt<sub>3</sub>Se<sub>4</sub> in another window
Journal Articles

X-ray photoelectron and NEXAFS spectroscopy of thionated uracils in the gas phase

Dennis Mayer, Max Handrich, David Picconi, Fabiano Lever, Lisa Mehner, Marta L. Murillo-Sanchez, Constantin Walz, Evgenii Titov, John Bozek, Peter Saalfrank, Markus Gühr
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 134301 (2024)
https://doi.org/10.1063/5.0226983
Published: October 2024
View article titled, X-ray photoelectron and NEXAFS spectroscopy of thionated uracils in the gas phase
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Journal Articles

Chiral spin selectivity and chiroptical activity in helical molecules

Solmar Varela, Rafael Gutierrez, Gianaurelio Cuniberti, Ernesto Medina, Vladimiro Mujica
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 114111 (2024)
https://doi.org/10.1063/5.0227365
Published: September 2024
View article titled, Chiral spin selectivity and chiroptical activity in helical molecules
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Journal Articles

Spin conductances and magnetization production in chiral molecular junctions

Richard Korytár, Jan M. van Ruitenbeek, Ferdinand Evers
Journal: The Journal of Chemical Physics