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Journal Articles

Photoelectron spectroscopy and theoretical study of Cu(CO)₂⁻

Zhen Li, Wenli Liu, Gaoming Hu, Boxing Zhu, Qiang Zhang, Yang Chen, Dongfeng Zhao

J. Chem. Phys. 161, 196101 (2024)

https://doi.org/10.1063/5.0238481

Published: November 2024

View article titled, Photoelectron spectroscopy and theoretical study of Cu(CO)2−

Journal Articles

The formation of exciplex and triplet–triplet transfer in organic room temperature phosphorescent guest–host materials

Zhi Zi, Zhihao Yu, Jianxin Guan, Junrong Zheng

J. Chem. Phys. 161, 194702 (2024)

https://doi.org/10.1063/5.0214240

Published: November 2024

View article titled, The formation of exciplex and triplet–triplet transfer in organic room temperature phosphorescent guest–host materials

Journal Articles

Current-driven mechanical motion of double stranded DNA results in structural instabilities and chiral-induced-spin-selectivity of electron transport

Nicholas S. Davis, Julian A. Lawn, Riley J. Preston, Daniel S. Kosov

J. Chem. Phys. 161, 144107 (2024)

https://doi.org/10.1063/5.0230466

Published: October 2024

View article titled, Current-driven mechanical motion of double stranded DNA results in structural instabilities and chiral-induced-spin-selectivity of electron transport

Journal Articles

Modeling of collision-induced excitation and quenching of atomic nitrogen

Yanze Wu, Majdi Hochlaf, George C. Schatz

J. Chem. Phys. 161, 014104 (2024)

https://doi.org/10.1063/5.0215553

Published: July 2024

View article titled, Modeling of collision-induced excitation and quenching of atomic nitrogen

Journal Articles

The direct role of nuclear motion in spin–orbit coupling in strongly correlated spin systems

M. J. Willatt, A. Alavi

J. Chem. Phys. 160, 234103 (2024)

https://doi.org/10.1063/5.0209702

Published: June 2024

View article titled, The direct role of nuclear motion in spin–orbit coupling in strongly correlated spin systems

Journal Articles

Ab initio spectroscopy and thermochemistry of the platinum hydride ions, PtH⁺ and PtH⁻

Karl K. Irikura

J. Chem. Phys. 160, 184309 (2024)

https://doi.org/10.1063/5.0207505

Published: May 2024

View article titled, Ab initio spectroscopy and thermochemistry of the platinum hydride ions, PtH+ and PtH−

Journal Articles

Optical spin hall effect in exciton–polariton condensates in lead halide perovskite microcavities

Bo Xiang, Yiliu Li, M. S. Spencer, Yanan Dai, Yusong Bai, Dmitri N. Basov, X.-Y. Zhu

J. Chem. Phys. 160, 161104 (2024)

https://doi.org/10.1063/5.0202341

Published: April 2024

View article titled, Optical spin hall effect in exciton–polariton condensates in lead halide perovskite microcavities

Includes: Supplementary data

Journal Articles

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

Abhinandan Kumar, Subrata Majumder

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 MoS2

Journal Articles

Effect of shape anisotropy in nanocrystals of semiconductors with small spin–orbit splitting

S. V. Goupalov

J. Chem. Phys. 160, 114703 (2024)

https://doi.org/10.1063/5.0187728

Published: March 2024

View article titled, Effect of shape anisotropy in nanocrystals of semiconductors with small spin–orbit splitting

Journal Articles

Optical properties and exciton transfer between N-heterocyclic carbene iridium(III) complexes for blue light-emitting diode applications from first principles

Irina V. Lebedeva, Joaquim Jornet-Somoza

J. Chem. Phys. 160, 084107 (2024)

https://doi.org/10.1063/5.0193161

Published: February 2024

View article titled, Optical properties and exciton transfer between N-heterocyclic carbene iridium(III) complexes for blue light-emitting diode applications from first principles

Includes: Supplementary data

Journal Articles

Optical spectroscopy of the previously unobserved palladium monosulfide (PdS) radical

Lei Zhang, Wenli Zou, Yao Yu, Jie Yang

J. Chem. Phys. 159, 204301 (2023)

https://doi.org/10.1063/5.0179596

Published: November 2023

View article titled, Optical spectroscopy of the previously unobserved palladium monosulfide (PdS) radical

Includes: Supplementary data

Journal Articles

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

Yi Ren, P. J. Hore

J. Chem. Phys. 159, 145104 (2023)

https://doi.org/10.1063/5.0171700

Published: October 2023

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

Journal Articles

On the circularly polarized luminescence of individual triplet sublevels

Clàudia Climent, Eric J. Schelter, David H. Waldeck, Sergei A. Vinogradov, Joseph E. Subotnik

J. Chem. Phys. 159, 134304 (2023)

https://doi.org/10.1063/5.0159932

Published: October 2023

View article titled, On the circularly polarized luminescence of individual triplet sublevels

Includes: Supplementary data

Journal Articles

Spin–flip dynamics in core-excited states in the basis of irreducible spherical tensor operators

Thies Romig, Vladislav Kochetov, Sergey I. Bokarev

J. Chem. Phys. 159, 114108 (2023)

https://doi.org/10.1063/5.0161700

Published: September 2023

View article titled, Spin–flip dynamics in core-excited states in the basis of irreducible spherical tensor operators

Journal Articles

The interplay of vibronic and spin–orbit coupling in the fluorescence quenching in trans-dithionated PDI

Kishan Kumar Dakua, Karunamoy Rajak, Sabyashachi Mishra

J. Chem. Phys. 159, 114303 (2023)

https://doi.org/10.1063/5.0167127

Published: September 2023

View article titled, The interplay of vibronic and spin–orbit coupling in the fluorescence quenching in trans-dithionated PDI

Includes: Supplementary data

Journal Articles

Achiral dipoles on a ferromagnet can affect its magnetization direction

Ragheed Alhyder, Alberto Cappellaro, Mikhail Lemeshko, Artem G. Volosniev

J. Chem. Phys. 159, 104103 (2023)

https://doi.org/10.1063/5.0165806

Published: September 2023

View article titled, Achiral dipoles on a ferromagnet can affect its magnetization direction

Journal Articles

Ultrafast control of laser-induced spin-dynamics scenarios on two-dimensional Ni₃@C₆₃H₅₄ magnetic system

Mohamed Barhoumi, Jing Liu, Georgios Lefkidis, Wolfgang Hübner

J. Chem. Phys. 159, 084304 (2023)

https://doi.org/10.1063/5.0158160

Published: August 2023

View article titled, Ultrafast control of laser-induced spin-dynamics scenarios on two-dimensional Ni3@C63H54 magnetic system

Journal Articles

Chirality-induced spin selectivity in functionalized carbon nanotube networks: The role of spin–orbit coupling

Seyedamin Firouzeh, Sara Illescas-Lopez, Md Anik Hossain, Juan Manuel Cuerva, Luis Álvarez de Cienfuegos, Sandipan Pramanik

J. Chem. Phys. 159, 034708 (2023)

https://doi.org/10.1063/5.0156348

Published: July 2023

View article titled, Chirality-induced spin selectivity in functionalized carbon nanotube networks: The role of spin–orbit coupling

Includes: Supplementary data

Journal Articles

Chirality-controlled spin scattering through quantum interference

Jan M. van Ruitenbeek, Richard Korytár, Ferdinand Evers

J. Chem. Phys. 159, 024710 (2023)

https://doi.org/10.1063/5.0156316

Published: July 2023

View article titled, Chirality-controlled spin scattering through quantum interference

Journal Articles

Rotational circular dichroism of diamagnetic and paramagnetic molecules. A computational study

Jiří Zdráhala, Petr Bouř

J. Chem. Phys. 159, 024115 (2023)

https://doi.org/10.1063/5.0156273

Published: July 2023

View article titled, Rotational circular dichroism of diamagnetic and paramagnetic molecules. A computational study

Includes: Supplementary data

NARROW

Topics

Photoelectron spectroscopy and theoretical study of Cu(CO)₂⁻

The formation of exciplex and triplet–triplet transfer in organic room temperature phosphorescent guest–host materials

Current-driven mechanical motion of double stranded DNA results in structural instabilities and chiral-induced-spin-selectivity of electron transport

Modeling of collision-induced excitation and quenching of atomic nitrogen

The direct role of nuclear motion in spin–orbit coupling in strongly correlated spin systems

Ab initio spectroscopy and thermochemistry of the platinum hydride ions, PtH⁺ and PtH⁻

Optical spin hall effect in exciton–polariton condensates in lead halide perovskite microcavities

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

Effect of shape anisotropy in nanocrystals of semiconductors with small spin–orbit splitting

Optical properties and exciton transfer between N-heterocyclic carbene iridium(III) complexes for blue light-emitting diode applications from first principles

Optical spectroscopy of the previously unobserved palladium monosulfide (PdS) radical

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

On the circularly polarized luminescence of individual triplet sublevels

Spin–flip dynamics in core-excited states in the basis of irreducible spherical tensor operators

The interplay of vibronic and spin–orbit coupling in the fluorescence quenching in trans-dithionated PDI

Achiral dipoles on a ferromagnet can affect its magnetization direction

Ultrafast control of laser-induced spin-dynamics scenarios on two-dimensional Ni₃@C₆₃H₅₄ magnetic system

Chirality-induced spin selectivity in functionalized carbon nanotube networks: The role of spin–orbit coupling

Chirality-controlled spin scattering through quantum interference

Rotational circular dichroism of diamagnetic and paramagnetic molecules. A computational study

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