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Solid state NMR spectroscopy
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Journal Articles

MRSimulator: A cross-platform, object-oriented software package for rapid solid-state NMR spectral simulation and analysis

Deepansh J. Srivastava, Matthew Giammar, Maxwell C. Venetos, Lexi McCarthy-Carney, Philip J. Grandinetti
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 212501 (2024)
https://doi.org/10.1063/5.0237608
Published: December 2024
View article titled, MRSimulator: A cross-platform, object-oriented software package for rapid solid-state NMR spectral simulation and analysis
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Journal Articles

Continuous Floquet theory in solid-state NMR

Matías Chávez, Matthias Ernst
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 244111 (2024)
https://doi.org/10.1063/5.0213078
Published: June 2024
View article titled, Continuous Floquet theory in solid-state NMR
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Journal Articles

Simulating multipulse NMR spectra of polycrystalline solids in the frequency domain

Editor’s Pick
Deepansh J. Srivastava, Philip J. Grandinetti
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 234110 (2024)
https://doi.org/10.1063/5.0209887
Published: June 2024
View article titled, Simulating multipulse NMR spectra of polycrystalline solids in the frequency domain
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Journal Articles

Rapid simulation of two-dimensional spectra with correlated anisotropic dimensions

Deepansh J. Srivastava, Jay H. Baltisberger, Philip J. Grandinetti
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 134104 (2024)
https://doi.org/10.1063/5.0200042
Published: April 2024
View article titled, Rapid simulation of two-dimensional spectra with correlated anisotropic dimensions
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Includes: Supplementary data
Journal Articles

Cross polarization from dipolar-order under magic angle spinning: The ADRF-CPMAS NMR experiment

Tamar Wolf, Sundaresan Jayanthi, Adonis Lupulescu, Lucio Frydman
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 224304 (2023)
https://doi.org/10.1063/5.0174955
Published: December 2023
View article titled, Cross polarization from dipolar-order under magic angle spinning: The ADRF-CPMAS NMR experiment
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Includes: Supplementary data
Journal Articles

The 103Rh NMR spectroscopy and relaxometry of the rhodium formate paddlewheel complex

Harry Harbor-Collins, Mohamed Sabba, Gamal Moustafa, Bonifac Legrady, Murari Soundararajan, Markus Leutzsch, Malcolm H. Levitt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 104307 (2023)
https://doi.org/10.1063/5.0165830
Published: September 2023
View article titled, The <sup>103</sup>Rh NMR spectroscopy and relaxometry of the rhodium formate paddlewheel complex
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Includes: Supplementary data
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
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Includes: Supplementary data
Journal Articles

The effect of 1H offset and flip-angle on heteronuclear decoupling efficiency in ROSPAC pulsed sequence: A Floquet description

Andrea Simion, Matthias Ernst, Claudiu Filip
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 154113 (2023)
https://doi.org/10.1063/5.0148400
Published: April 2023
View article titled, The effect of <sup>1</sup>H offset and flip-angle on heteronuclear decoupling efficiency in ROSPAC pulsed sequence: A Floquet description
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Includes: Supplementary data
Journal Articles

Structure of diopside, enstatite, and magnesium aluminosilicate glasses: A joint approach using neutron and x-ray diffraction and solid-state NMR

Editor’s Pick
Hesameddin Mohammadi, Rita Mendes Da Silva, Anita Zeidler, Lawrence V. D. Gammond, Florian Gehlhaar, Marcos de Oliveira, Jr., Hugo Damasceno, Hellmut Eckert, Randall E. Youngman, Bruce G. Aitken, Henry E. Fischer, Holger Kohlmann, Laurent Cormier, Chris J. Benmore, Philip S. Salmon
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 214503 (2022)
https://doi.org/10.1063/5.0125879
Published: December 2022
View article titled, Structure of diopside, enstatite, and magnesium aluminosilicate glasses: A joint approach using neutron and x-ray diffraction and solid-state NMR
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Journal Articles

A continuous approach to Floquet theory for pulse-sequence optimization in solid-state NMR

Matías Chávez, Matthias Ernst
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 184103 (2022)
https://doi.org/10.1063/5.0109229
Published: November 2022
View article titled, A continuous approach to Floquet theory for pulse-sequence optimization in solid-state NMR
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Includes: Supplementary data
Journal Articles

Symmetry-based singlet–triplet excitation in solution nuclear magnetic resonance

Featured
Mohamed Sabba, Nino Wili, Christian Bengs, James W. Whipham, Lynda J. Brown, Malcolm H. Levitt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 134302 (2022)
https://doi.org/10.1063/5.0103122
Published: October 2022
View article titled, Symmetry-based singlet–triplet excitation in solution nuclear magnetic resonance
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Includes: Supplementary data
Journal Articles

Molecular basis of secondary relaxation in stiff-chain glassy polymers

Thomas Weldeghiorghis, Manmilan Singh, Jacob Schaefer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 044901 (2022)
https://doi.org/10.1063/5.0087132
Published: August 2022
View article titled, Molecular basis of secondary relaxation in stiff-chain glassy polymers
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Journal Articles

Structural dynamics of light harvesting proteins, photosynthetic membranes, and cells observed by spectral editing solid-state NMR

Anjali Pandit
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 025101 (2022)
https://doi.org/10.1063/5.0094446
Published: July 2022
View article titled, Structural dynamics of light harvesting proteins, photosynthetic membranes, and cells observed by spectral editing solid-state NMR
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Journal Articles

Heteronuclear decoupling with rotor-synchronized phase-alternated cycles

Andrea Simion, Tobias Schubeis, Tanguy Le Marchand, Mihai Vasilescu, Guido Pintacuda, Anne Lesage, Claudiu Filip
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 014202 (2022)
https://doi.org/10.1063/5.0098135
Published: July 2022
View article titled, Heteronuclear decoupling with rotor-synchronized phase-alternated cycles
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Includes: Supplementary data
Journal Articles

A unified description for polarization-transfer mechanisms in magnetic resonance in static solids: Cross polarization and DNP

Zhenfeng Pang, Sheetal Jain, Chen Yang, Xueqian Kong, Kong Ooi Tan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 244109 (2022)
https://doi.org/10.1063/5.0092265
Published: June 2022
View article titled, A unified description for polarization-transfer mechanisms in magnetic resonance in static solids: Cross polarization and DNP
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Includes: Supplementary data
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
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Includes: Supplementary data
Journal Articles

Oxygen NMR of high-density and low-density amorphous ice

Featured
Lars Hoffmann, Joachim Beerwerth, Mischa Adjei-Körner, Violeta Fuentes-Landete, Christina M. Tonauer, Thomas Loerting, Roland Böhmer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 084503 (2022)
https://doi.org/10.1063/5.0080333
Published: February 2022
View article titled, Oxygen NMR of high-density and low-density amorphous ice
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Journal Articles

Structural model for amorphous aluminosilicates

Lawrence V. D. Gammond, Randall E. Youngman, Anita Zeidler, Bruce G. Aitken, Philip S. Salmon
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 064503 (2022)
https://doi.org/10.1063/5.0079607
Published: February 2022
View article titled, Structural model for amorphous aluminosilicates
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Includes: Supplementary data
Journal Articles

On the potential of Fourier-encoded saturation transfers for sensitizing solid-state magic-angle spinning NMR experiments

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Michael J. Jaroszewicz, Mihajlo Novakovic, Lucio Frydman
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 054201 (2022)
https://doi.org/10.1063/5.0076946
Published: February 2022
View article titled, On the potential of Fourier-encoded saturation transfers for sensitizing solid-state magic-angle spinning NMR experiments
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Includes: Supplementary data
Journal Articles

Theory of frequency-selective homonuclear dipolar recoupling in solid-state NMR

Hang Xiao, Zhengfeng Zhang, Jun Yang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 174105 (2021)
https://doi.org/10.1063/5.0065396
Published: November 2021
View article titled, Theory of frequency-selective homonuclear dipolar recoupling in solid-state NMR
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Includes: Supplementary data