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Prediction Software
Directory > Science > Chemistry > Nuclear Magnetic Resonance > Software > Prediction Software

Web Sitesi

Predicting NMR Spectra
Advanced Chemistry Development offers the industry standard HNMR, CNMR, XNMR, and 2D NMR prediction
software and databases.
http://www.acdlabs.com/products/spec_lab/predict_nmr/
Reviews Rating: Not yet Rated Whois Check

NMRPen NMR Shift Prediction Software
Software for predicting the chemical shift of various compounds.
http://home.earthlink.net/~hiltonevans/nmrpen.htm
Reviews Rating: Not yet Rated Whois Check

Chemical shifts for deuterated solvents
A table.
http://www.chem.ucla.edu/~bacher/General/30BL/NMR/deuterosolvents.html
Reviews Rating: Not yet Rated Whois Check

BioMagResBank
Repository for data from NMR spectroscopy on proteins, peptides, and nucleic acids.
http://www.bmrb.wisc.edu/
Reviews Rating: Not yet Rated Whois Check

H1 Prediction
WEB based prediction of proton chemical shifts.
http://www.colby.edu/chemistry/NMR/H1pred.html
Reviews Rating: Not yet Rated Whois Check

ModelFree
ModelFree is a program for optimizing "Lipari-Szabo model free" parameters to
heteronuclear relaxation data.
http://cpmcnet.columbia.edu/dept/gsas/biochem/labs/palmer/software/modelfree.html
Reviews Rating: Not yet Rated Whois Check

Gaussian Inc.
Gaussian structure calculation software for your PC.
http://www.gaussian.com/
Reviews Rating: Not yet Rated Whois Check

MEXICO and MEX
Chemical Exchange Lineshape Software. This is a set of programs for calculating the lineshapes in
both coupled and uncoupled spin systems
http://www.chemistry.mcmaster.ca/~bain/mexmanc.html
Reviews Rating: Not yet Rated Whois Check

HyperNMR
Commercial program for a priori prediction of one-dimensional NMR spectra
http://www.hallogram.com/science/hypernmr/index.html
Reviews Rating: Not yet Rated Whois Check

 


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