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Journal Articles

The influence of spin–spin interaction on high partial wave Feshbach resonance in ultracold ²³Na -⁸⁷Rb system

Bo-Wen Si, Jing-Lun Li, Gao-Ren Wang, Shu-Lin Cong

J. Chem. Phys. 161, 104305 (2024)

https://doi.org/10.1063/5.0221398

Published: September 2024

View article titled, The influence of spin–spin interaction on high partial wave Feshbach resonance in ultracold 23 Na - 87 Rb system

Journal Articles

First-principles investigation of positively charged and neutral oxygen vacancies in amorphous silica

Yuqi Wang, Yaolin Zhao, Zhongcun Chen, Ziqi Jia, Dayin Tong, Shaowei Nie, Zitong Han

J. Chem. Phys. 161, 034705 (2024)

https://doi.org/10.1063/5.0206938

Published: July 2024

View article titled, First-principles investigation of positively charged and neutral oxygen vacancies in amorphous silica

Journal Articles

Hyperfine interactions for small systems including transition-metal elements using self-interaction corrected density-functional theory

Anri Karanovich, Koblar Alan Jackson, Kyungwha Park

J. Chem. Phys. 161, 014102 (2024)

https://doi.org/10.1063/5.0209226

Published: July 2024

View article titled, Hyperfine interactions for small systems including transition-metal elements using self-interaction corrected density-functional theory

Journal Articles

Coupled internal rotations and ¹⁴N quadrupole hyperfine structure of 2,4-dimethylpyrrole investigated by microwave spectroscopy and quantum chemistry

Mike Barth, Isabelle Kleiner, Ha Vinh Lam Nguyen

J. Chem. Phys. 160, 244303 (2024)

https://doi.org/10.1063/5.0213319

Published: June 2024

View article titled, Coupled internal rotations and 14N quadrupole hyperfine structure of 2,4-dimethylpyrrole investigated by microwave spectroscopy and quantum chemistry

Journal Articles

Isotope shifts in electron affinities and in binding energies of Pb and hyperfine structure of ²⁰⁷Pb⁻

C. X. Song, S. T. Yan, M. Godefroid, J. Bieroń, P. Jönsson, G. Gaigalas, J. Ekman, X. M. Zhang, C. Y. Chen, C. G. Ning, R. Si

J. Chem. Phys. 160, 214307 (2024)

https://doi.org/10.1063/5.0212299

Published: June 2024

View article titled, Isotope shifts in electron affinities and in binding energies of Pb and hyperfine structure of 207Pb−

Journal Articles

The effect of microsolvation on the structure, nuclear quadrupole coupling, and internal rotation: The methyl carbamate⋯(H₂O)_1–3 complexes

Pablo Pinacho, Juan Carlos López, Zbigniew Kisiel, Susana Blanco

J. Chem. Phys. 160, 164315 (2024)

https://doi.org/10.1063/5.0204953

Published: April 2024

View article titled, The effect of microsolvation on the structure, nuclear quadrupole coupling, and internal rotation: The methyl carbamate⋯(H2O)1–3 complexes

Includes: Supplementary data

Journal Articles

Photoionization cross sections measurements of the excited states of lutetium and ytterbium in the near threshold region

Zhenmei Zhang, Zhicheng Wang, Qiaolin Wang, Xiaokang Ma, Zhixie Wang, Zefeng Hua, Guanxin Yao, Xinyan Yang, Zhongfa Sun, Zhengbo Qin, Xianfeng Zheng

J. Chem. Phys. 160, 164201 (2024)

https://doi.org/10.1063/5.0197941

Published: April 2024

View article titled, Photoionization cross sections measurements of the excited states of lutetium and ytterbium in the near threshold region

Journal Articles

Rotational spectrum, structure, and quadrupole coupling of cyclopropylchloromethyldifluorosilane

Alexander R. Davies, Abanob G. Hanna, Alma Lutas, Gamil A. Guirgis, G. S. Grubbs, II

J. Chem. Phys. 160, 164309 (2024)

https://doi.org/10.1063/5.0203016

Published: April 2024

View article titled, Rotational spectrum, structure, and quadrupole coupling of cyclopropylchloromethyldifluorosilane

Includes: Supplementary data

Journal Articles

Newly observed low-lying Ω = 1 state of PbO

Katsunari Enomoto, Taichi Tojo, Kaori Kobayashi, Susumu Kuma, Ayami Hiramoto, Yuki Miyamoto, Masaaki Baba

J. Chem. Phys. 160, 134306 (2024)

https://doi.org/10.1063/5.0196184

Published: April 2024

View article titled, Newly observed low-lying Ω = 1 state of PbO

Journal Articles

Hyperfine and Zeeman interactions in ultracold collisions of molecular hydrogen with atomic lithium

Hubert Jóźwiak, Timur V. Tscherbul, Piotr Wcisło

J. Chem. Phys. 160, 094304 (2024)

https://doi.org/10.1063/5.0193148

Published: March 2024

View article titled, Hyperfine and Zeeman interactions in ultracold collisions of molecular hydrogen with atomic lithium

Journal Articles

Hyperfine-resolved rotational spectroscopy of HCNH⁺

Weslley G. D. P. Silva, Luis Bonah, Philipp C. Schmid, Stephan Schlemmer, Oskar Asvany

J. Chem. Phys. 160, 071101 (2024)

https://doi.org/10.1063/5.0185365

Published: February 2024

View article titled, Hyperfine-resolved rotational spectroscopy of HCNH+

Includes: Supplementary data

Journal Articles

Evolution of spin coherence of radical pairs due to spin-selective recombination: Comparison of three models

Victor A. Bagryansky, Artem O. Chetverikov, Vsevolod I. Borovkov, Yuri N. Molin

J. Chem. Phys. 159, 244112 (2023)

https://doi.org/10.1063/5.0184479

Published: December 2023

View article titled, Evolution of spin coherence of radical pairs due to spin-selective recombination: Comparison of three models

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

A path integral molecular dynamics study on the muoniated xanthene-thione molecule

Kazuaki Kuwahata, Shigekazu Ito, Masanori Tachikawa

J. Chem. Phys. 159, 104301 (2023)

https://doi.org/10.1063/5.0159207

Published: September 2023

View article titled, A path integral molecular dynamics study on the muoniated xanthene-thione molecule

Journal Articles

Flying characterization of colliding partners by hyperfine splitting frequency of neutral paramagnetic atoms

Kiyoshi Ishikawa

J. Chem. Phys. 159, 064303 (2023)

https://doi.org/10.1063/5.0161491

Published: August 2023

View article titled, Flying characterization of colliding partners by hyperfine splitting frequency of neutral paramagnetic atoms

Journal Articles

On the specialization of Gaussian basis sets for core-dependent properties

Robbie T. Ireland, Laura K. McKemmish

J. Chem. Phys. 159, 064102 (2023)

https://doi.org/10.1063/5.0159119

Published: August 2023

View article titled, On the specialization of Gaussian basis sets for core-dependent properties

Includes: Supplementary data

Journal Articles

Pulse sequences for manipulating the spin states of molecular radical-pair-based electron spin qubit systems for quantum information applications

Gediminas J. Pazera, Matthew D. Krzyaniak, Michael R. Wasielewski

J. Chem. Phys. 158, 204118 (2023)

https://doi.org/10.1063/5.0145278

Published: May 2023

View article titled, Pulse sequences for manipulating the spin states of molecular radical-pair-based electron spin qubit systems for quantum information applications

Journal Articles

Magnetic functionalization of ZnO nanoparticles surfaces via optically generated methyl radicals

D. Marin, G. Gerbaud, O. Margeat, F. Ziarelli, F. Ferrer, O. Ouari, A. Campos, S. Bertaina, A. Savoyant

J. Chem. Phys. 158, 184704 (2023)

https://doi.org/10.1063/5.0152015

Published: May 2023

View article titled, Magnetic functionalization of ZnO nanoparticles surfaces via optically generated methyl radicals

Includes: Supplementary data

Journal Articles

Hyperfine-resolved spectra of HDS together with a global ro-vibrational analysis

Mattia Melosso, Ningjing Jiang, Jürgen Gauss, Cristina Puzzarini

J. Chem. Phys. 158, 174310 (2023)

https://doi.org/10.1063/5.0148810

Published: May 2023

View article titled, Hyperfine-resolved spectra of HDS together with a global ro-vibrational analysis

Includes: Supplementary data

Journal Articles

Isotope study of the nonlinear pressure shifts of ⁸⁵Rb and ⁸⁷Rb hyperfine resonances in Ar, Kr, and Xe buffer gases

B. H. McGuyer

J. Chem. Phys. 158, 144304 (2023)

https://doi.org/10.1063/5.0145919

Published: April 2023

View article titled, Isotope study of the nonlinear pressure shifts of 85Rb and 87Rb hyperfine resonances in Ar, Kr, and Xe buffer gases

Includes: Supplementary data

NARROW

Topics

The influence of spin–spin interaction on high partial wave Feshbach resonance in ultracold ²³Na -⁸⁷Rb system

First-principles investigation of positively charged and neutral oxygen vacancies in amorphous silica

Hyperfine interactions for small systems including transition-metal elements using self-interaction corrected density-functional theory

Coupled internal rotations and ¹⁴N quadrupole hyperfine structure of 2,4-dimethylpyrrole investigated by microwave spectroscopy and quantum chemistry

Isotope shifts in electron affinities and in binding energies of Pb and hyperfine structure of ²⁰⁷Pb⁻

The effect of microsolvation on the structure, nuclear quadrupole coupling, and internal rotation: The methyl carbamate⋯(H₂O)_1–3 complexes

Photoionization cross sections measurements of the excited states of lutetium and ytterbium in the near threshold region

Rotational spectrum, structure, and quadrupole coupling of cyclopropylchloromethyldifluorosilane

Newly observed low-lying Ω = 1 state of PbO

Hyperfine and Zeeman interactions in ultracold collisions of molecular hydrogen with atomic lithium

Hyperfine-resolved rotational spectroscopy of HCNH⁺

Evolution of spin coherence of radical pairs due to spin-selective recombination: Comparison of three models

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

A path integral molecular dynamics study on the muoniated xanthene-thione molecule

Flying characterization of colliding partners by hyperfine splitting frequency of neutral paramagnetic atoms

On the specialization of Gaussian basis sets for core-dependent properties

Pulse sequences for manipulating the spin states of molecular radical-pair-based electron spin qubit systems for quantum information applications

Magnetic functionalization of ZnO nanoparticles surfaces via optically generated methyl radicals

Hyperfine-resolved spectra of HDS together with a global ro-vibrational analysis

Isotope study of the nonlinear pressure shifts of ⁸⁵Rb and ⁸⁷Rb hyperfine resonances in Ar, Kr, and Xe buffer gases

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