Comparison of the computational NMR chemical shifts of choline with the experimental data

From National Research Council Canada

DOIResolve DOI: https://doi.org/10.1088/1742-6596/341/1/012013
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Affiliation
  1. National Research Council of Canada. NRC Institute for Information Technology
FormatText, Article
Conference25th High Performance Computing Symposium 2011, HPCS 2011, 15 June 2011 through 17 June 2011, Montreal, QC
SubjectAtomic orbital; Biological markers; Correlation functionals; Diagnostic tools; Experimental data; Head groups; High performance computing systems; Methyl group; NMR chemical shifts; Optimized structures; Over-expression; Polarizable continuum model; Proton spectra; Solvent effects; Structural similarity; Continuum mechanics; Functional groups; Magnetic resonance spectroscopy; Quantum chemistry; Diseases
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LanguageEnglish
Peer reviewedYes
NPARC number21269478
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Record identifier5d48104e-c959-4f96-8a71-602f913e5d75
Record created2013-12-12
Record modified2020-04-21
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