Difference between revisions of "CovNMR"
Jump to navigation
Jump to search
Moskalenko (talk | contribs) m (Text replacement - "#uppercase" to "uc") |
|||
| Line 30: | Line 30: | ||
<!--Add additional HPC_FOO_BIN and other ENV VARIABLES below--> | <!--Add additional HPC_FOO_BIN and other ENV VARIABLES below--> | ||
==System Variables== | ==System Variables== | ||
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_DIR - installation directory |
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_BIN - executable program directory |
<!--Run--> | <!--Run--> | ||
Revision as of 21:15, 6 December 2019
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_COVNMR_DIR - installation directory
- HPC_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