ArticleMagnetic resonance in chemistry : MRC2019
TensorView: A software tool for displaying NMR tensors.
Article in Magnetic resonance in chemistry : MRC, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- NMR crystallography reveals active-site protonation states of Toho-1 β-lactamase in complex with avibactam.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Controlling the Guanidinium Cation Rotation by Cation-π Interactions.Angewandte Chemie (International ed. in English) · 2026Article
- Solid-State NMR Spectroscopy Investigation of Structural Changes of Mechanically Strained Mouse Tail Tendons.Journal of the American Chemical Society · 2025Article
- Automatic fitting of multiple-field solid-state NMR spectra.Solid state nuclear magnetic resonance · 2024Article
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- TensorView for MATLAB: Visualizing tensors with Euler angle decoding.Solid state nuclear magnetic resonance · 2023Article
- Geometrization for Energy Levels of Isotropic Hyperfine Hamiltonian Block and Related Central Spin Problems for an Arbitrarily Complex Set of Spin-1/2 Nuclei.International journal of molecular sciences · 2022Article
- Solid-stateChemical science · 2022Article
- Bridging photochemistry and photomechanics with NMR crystallography: the molecular basis for the macroscopic expansion of an anthracene ester nanorod.Chemical science · 2020Article
- Fast electron paramagnetic resonance magic angle spinning simulations using analytical powder averaging techniques.The Journal of chemical physics · 2019Article
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Authors and funding
6 authors.
Funding
Abstract
The representation of nuclear magnetic resonance (NMR) tensors as surfaces on three-dimensional molecular models is an information-rich presentation that highlights the geometric relationship between tensor principal components and the underlying molecular and electronic structure. Here, we describe a new computational tool, TensorView, for depicting NMR tensors on the molecular framework. This package makes use of the graphical interface and built-in molecular display functionality present within the Mathematica programming environment and is robust for displaying tensor properties from a broad range of commercial and user-specific computational chemistry packages. Two mathematical forms for representing tensor interaction surfaces are presented, the popular ellipsoidal construct and the more technically correct "ovaloid" form. Examples are provided for chemical shielding and shift tensors, dipole-dipole and quadrupolar couplings, and atomic anisotropic displacement parameters (thermal ellipsoids) derived from NMR crystallography.
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Registered trials
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