1-20 of 1767
Electron paramagnetic resonance spectroscopy
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

Erratum: “Mechanistic origins of methyl-driven Overhauser DNP” [J. Chem. Phys. 158, 154201 (2023)]

Frédéric A. Perras, Yoh Matsuki, Scott A. Southern, Thierry Dubroca, Dragos F. Flesariu, Johan Van Tol, Christos P. Constantinides, Panayiotis A. Koutentis
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 209901 (2023)
https://doi.org/10.1063/5.0185520
Published: November 2023
View article titled, Erratum: “Mechanistic origins of methyl-driven Overhauser DNP” [J. Chem. Phys. 158, 154201 (2023)]
Open the PDF for Erratum: “Mechanistic origins of methyl-driven Overhauser DNP” [J. Chem. Phys. 158, 154201 (2023)] in another window
Journal Articles

Electron-to-nuclear spectral mapping via dynamic nuclear polarization

Arjun Pillai, Moniish Elanchezhian, Teemu Virtanen, Sophie Conti, Ashok Ajoy
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 154201 (2023)
https://doi.org/10.1063/5.0157954
Published: October 2023
View article titled, Electron-to-nuclear spectral mapping via dynamic nuclear polarization
Open the PDF for Electron-to-nuclear spectral mapping via dynamic nuclear polarization in another window
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
Journal: The Journal of Chemical Physics
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
Open the PDF for Conditions for EPR detection of chirality-induced spin selectivity in spin-polarized radical pairs in isotropic solution in another window
Journal Articles

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

Robbie T. Ireland, Laura K. McKemmish
Journal: The Journal of Chemical Physics
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
Open the PDF for On the specialization of Gaussian basis sets for core-dependent properties in another window
Includes: Supplementary data
Journal Articles

A relativistic configuration interaction method with general expansions and initial applications to electronic g-factors

Andreas Nyvang, Jeppe Olsen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 044102 (2023)
https://doi.org/10.1063/5.0152655
Published: July 2023
View article titled, A relativistic configuration interaction method with general expansions and initial applications to electronic g-factors
Open the PDF for A relativistic configuration interaction method with general expansions and initial applications to electronic g-factors in another window
Journal Articles

Dynamic nuclear polarization by two-pulse phase modulation

Venkata SubbaRao Redrouthu, Sanjay Vinod-Kumar, Guinevere Mathies
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 014201 (2023)
https://doi.org/10.1063/5.0153053
Published: July 2023
View article titled, Dynamic nuclear polarization by two-pulse phase modulation
Open the PDF for Dynamic nuclear polarization by two-pulse phase modulation in another window
Includes: Supplementary data
Journal Articles

Cations impact radical reaction dynamics in concentrated multicomponent aqueous solutions

Emily T. Nienhuis, Trent R. Graham, Nicolas L. D’Annunzio, Malgorzata I. Kowalska, Jay A. LaVerne, Thomas M. Orlando, Jacob G. Reynolds, Donald M. Camaioni, Kevin M. Rosso, Carolyn I. Pearce, Eric D. Walter
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 224503 (2023)
https://doi.org/10.1063/5.0153132
Published: June 2023
View article titled, Cations impact radical reaction dynamics in concentrated multicomponent aqueous solutions
Open the PDF for Cations impact radical reaction dynamics in concentrated multicomponent aqueous solutions in another window
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
Journal: The Journal of Chemical Physics
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
Open the PDF for Pulse sequences for manipulating the spin states of molecular radical-pair-based electron spin qubit systems for quantum information applications in another window
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
Journal: The Journal of Chemical Physics
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
Open the PDF for Magnetic functionalization of ZnO nanoparticles surfaces via optically generated methyl radicals in another window
Includes: Supplementary data
Journal Articles

2021 JCP Emerging Investigator Special Collection

Michele Ceriotti, Lasse Jensen, David E. Manolopoulos, Todd Martinez, David R. Reichman, Francesco Sciortino, C. David Sherrill, Qiang Shi, Carlos Vega, Lai-Sheng Wang, Emily A. Weiss, Xiaoyang Zhu, Jenny Stein, Tianquan Lian
Michele Ceriotti, Lasse Jensen, Todd Martinez, David R. Reichman, Francesco Sciortino, C. David Sherrill, Qiang Shi, Carlos Vega, Lai-Sheng Wang, Xiaoyang Zhu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 060401 (2023)
https://doi.org/10.1063/5.0143234
Published: February 2023
View article titled, 2021 JCP Emerging Investigator Special Collection
Open the PDF for 2021 JCP Emerging Investigator Special Collection in another window
Journal Articles

An analytical treatment of electron spectral saturation for dynamic nuclear polarization NMR of rotating solids

Zhehong Gan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 024114 (2023)
https://doi.org/10.1063/5.0109077
Published: January 2023
View article titled, An analytical treatment of electron spectral saturation for dynamic nuclear polarization NMR of rotating solids
Open the PDF for An analytical treatment of electron spectral saturation for dynamic nuclear polarization NMR of rotating solids in another window
Journal Articles

A two-site triplet exciton hopping model: Application to 3P700

Yuri E. Kandrashkin, Art van der Est
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 224109 (2022)
https://doi.org/10.1063/5.0132157
Published: December 2022
View article titled, A two-site triplet exciton hopping model: Application to <sup>3</sup>P<sub>700</sub>
Open the PDF for A two-site triplet exciton hopping model: Application to <sup>3</sup>P<sub>700</sub> in another window
Journal Articles

A modernized view of coherence pathways applied to magnetic resonance experiments in unstable, inhomogeneous fields

Alec A. Beaton, Alexandria Guinness, John M. Franck
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 174204 (2022)
https://doi.org/10.1063/5.0105388
Published: November 2022
View article titled, A modernized view of coherence pathways applied to magnetic resonance experiments in unstable, inhomogeneous fields
Open the PDF for A modernized view of coherence pathways applied to magnetic resonance experiments in unstable, inhomogeneous fields in another window
Includes: Supplementary data
Journal Articles

Quantitative and space-resolved in situ 1D EPR imaging for the detection of metallic lithium deposits

Fushan Geng, Guozhong Lu, Yuxin Liao, Ming Shen, Bingwen Hu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 174203 (2022)
https://doi.org/10.1063/5.0125080
Published: November 2022
View article titled, Quantitative and space-resolved <em>in situ</em> 1D EPR imaging for the detection of metallic lithium deposits
Open the PDF for Quantitative and space-resolved <em>in situ</em> 1D EPR imaging for the detection of metallic lithium deposits in another window
Includes: Supplementary data
Journal Articles

The four-component DFT method for the calculation of the EPR g-tensor using a restricted magnetically balanced basis and London atomic orbitals

Debora Misenkova, Florian Lemken, Michal Repisky, Jozef Noga, Olga L. Malkina, Stanislav Komorovsky
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 164114 (2022)
https://doi.org/10.1063/5.0103928
Published: October 2022
View article titled, The four-component DFT method for the calculation of the EPR g-tensor using a restricted magnetically balanced basis and London atomic orbitals
Open the PDF for The four-component DFT method for the calculation of the EPR g-tensor using a restricted magnetically balanced basis and London atomic orbitals in another window
Includes: Supplementary data
Journal Articles

Optical readout of singlet fission biexcitons in a heteroacene with photoluminescence detected magnetic resonance

Gajadhar Joshi, Ryan D. Dill, Karl J. Thorley, John E. Anthony, Obadiah G. Reid, Justin C. Johnson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 164702 (2022)
https://doi.org/10.1063/5.0103662
Published: October 2022
View article titled, Optical readout of singlet fission biexcitons in a heteroacene with photoluminescence detected magnetic resonance
Open the PDF for Optical readout of singlet fission biexcitons in a heteroacene with photoluminescence detected magnetic resonance in another window
Includes: Supplementary data
Journal Articles

Subsystem density-functional theory: A reliable tool for spin-density based properties

Patrick Eschenbach, Johannes Neugebauer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 130902 (2022)
https://doi.org/10.1063/5.0103091
Published: October 2022
View article titled, Subsystem density-functional theory: A reliable tool for spin-density based properties
Open the PDF for Subsystem density-functional theory: A reliable tool for spin-density based properties in another window
Journal Articles

Impact of the current density on paramagnetic NMR properties

Yannick J. Franzke, Christof Holzer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 031102 (2022)
https://doi.org/10.1063/5.0103898
Published: July 2022
View article titled, Impact of the current density on paramagnetic NMR properties
Open the PDF for Impact of the current density on paramagnetic NMR properties in another window
Includes: Supplementary data
Journal Articles

Observation of a four-spin solid effect

Kong Ooi Tan, Robert G. Griffin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 174201 (2022)
https://doi.org/10.1063/5.0091663
Published: May 2022
View article titled, Observation of a four-spin solid effect
Open the PDF for Observation of a four-spin solid effect in another window
Journal Articles

Hybrid quantum-classical simulations of magic angle spinning dynamic nuclear polarization in very large spin systems

Frédéric A. Perras, Scott L. Carnahan, Wei-Shang Lo, Charles J. Ward, Jiaqi Yu, Wenyu Huang, Aaron J. Rossini
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 124112 (2022)
https://doi.org/10.1063/5.0086530
Published: March 2022
View article titled, Hybrid quantum-classical simulations of magic angle spinning dynamic nuclear polarization in very large spin systems
Open the PDF for Hybrid quantum-classical simulations of magic angle spinning dynamic nuclear polarization in very large spin systems in another window
Includes: Supplementary data