About NMR simulation and gNMR

Click for Enlargement
NMR is one of the quest and most powerful techniques for elucidating the structures of organic and organometallic compounds, or for determining the composition of a mixture of compounds. gNMR lets users simulate one-dimensional NMR active spectra of single molecules or mixtures, containing many different NMR-active nuclei. Users also work with gNMR to carry out iterative calculations in which the program optimizes various parameters (shifts, coupling constants, line widths, etc) to fit calculated experimental spectra. To determine the make up of an unknown molecule the chemist enters estimated molecule parameters into the system in tabular form or copies structures directly from chemical drawing packages. gNMR generates the spectrum trace. The chemist may compare the simulated spectrum with an experimental spectrum directly. He may then attempt to extract information or allow gNMR to perform a best match of the two spectra. gNMR may also be used to perform "what if" analysis during development of molecules to reduce the time required on experimental instruments.

Key point about gNMR

Application Areas

Support for gNMR Users and Partners

For additional information contact:
Cherwell Scientific Publishing, Inc.
744 San Antonio Road, Suite 27
Palo Alto CA 94303
Phone: 415-852-0720
Fax: 415-852-0723
E-mail: csp.use@cherwell.com
WebSight: http://www.cherwell.com/cherwell

Next News Release
Back to Data Aquisition Index