gNMR is a program for simulating one dimensional NMR spectra for any NMR-active nucleus, in single molecules or mixtures. The simulation uses either direct input for chemical shifts and coupling constants, or prediction using chemical structures imported from drawing packages such as ChemDraw. The brand new database greatly improves parameter prediction. A choice of approximate methods lets you simulate the spectra of large molecules, and you can even predict the effects of exchange reactions.
Features:
-Reduce costly NMR experimentation time through simulation of molecules with up to 49 spins
-Work with your existing data: read experimental data, including FID, from your NMR instrument
-Use the new gNMR database to store your data and improve parameter prediction
-Benefit from gNMR's powerful spectrum processing functions, simulation methods and predictive capabilities
-Use OLE automation, structure import and scripting tools to exchange data with other programs
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