Difference between revisions of "CovNMR"
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See the [[{{PAGENAME}}_Install]] page for {{#var: app}} installation notes.|}} | See the [[{{PAGENAME}}_Install]] page for {{#var: app}} installation notes.|}} | ||
__NOTOC____NOEDITSECTION__ | __NOTOC____NOEDITSECTION__ | ||
| + | =Validation= | ||
| + | * Validated 4/5/2018 | ||
Revision as of 18:42, 5 April 2018
Description
Covariance NMR Spectroscopy provides a powerful approach to NMR correlation spectroscopy with resolution enhancement along the indirect dimension. The resulting spectrum is fully symmetric with the same resolution along the indirect dimension w1 (called w2′) as along the detection dimension w2. The singular value decomposition (SVD) implementation of the matrix square-root operation makes covariance NMR computationally affordable and amenable to a wide range of routine applications in liquids and solids.
Required Modules
Serial
- {{#lowercase:covNMR}}
System Variables
- HPC_{{#uppercase:covNMR}}_DIR - installation directory
- HPC_{{#uppercase:covNMR}}_BIN - executable program directory
Citation
If you publish research that uses covNMR you have to cite it as follows:
F. Zhang and R. Brüschweiler, Indirect covariance NMR spectroscopy. J. Am. Chem. Soc. 126, 13180-13181 (2004). Last modified: Jun. 2006
Validation
- Validated 4/5/2018