gNMR

gNMR

The Chemist's First Choice for NMR Spectral Simulation

NMR analysis that really helps you understand the complexities of your chemical compounds.

Explore and simulate NMR spectra - without an NMR workstation!

The chemist's first choice for spectral simulation and analysis

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.

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

With this brand new release gNMR offers you more than ever before:

A fully searchable database that stores all of you NMR data and actively improves the prediction of NMR parameters when you import chemical structures into gNMR

More spectrum processing options:

Import spectra from all popular NMR instruments

Perform Fourier Transform on FID data

Linear prediction from FID data

Phasing

Generate peak lists and multiplets

Simulate even larger systems - up to 49 spins (each with up to 9 equivalent nuclei)

Easily export data to DTP applications for publishing your results

Perform rapid calculations on dynamic systems

Don't forget that with gNMR you can simulate systems with any NMR active nuclei - not just proton and carbon - and that this all comes in one package!

gNMR is also ideal as a teaching tool. With the new features you can easily generate idealized spectra and FID data to allow your students to explore all aspects of NMR spectrum processing and interpretation - before they ever need to use an instrument or OEM processing tools.

(Win / NT) (Mac)