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Home / Science / Chemistry / Nuclear Magnetic Resonance / Software / Prediction Software
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Web Sites
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- Advanced Chemistry Development - Fluorine and phosphorus NMR database and prediction
www.acdlabs.com/products/spec_lab/predict_nmr/xnmr
- BioMagResBank - Repository for data from NMR spectroscopy on proteins, peptides, and nucleic acids.
www.bmrb.wisc.edu
- Chemical shifts for deuterated solvents - A table.
www.chem.ucla.edu/~bacher/General/30BL/NMR/deuterosolvents.html
- Chemical shifts of NMR solvents - A table.
www.che.ncku.edu.tw/DataBase/Spectru/solvents%20in%20NMR.htm
- Gaussian Inc. - Gaussian structure calculation software for your PC.
www.gaussian.com
- H1 Prediction - WEB based prediction of proton chemical shifts.
www.colby.edu/chemistry/NMR/H1pred.html
- HyperNMR - Commercial program for a priori prediction of one-dimensional NMR spectra
www.hallogram.com/science/hypernmr/index.html
- MEXICO and MEX - Chemical Exchange Lineshape Software. This is a set of programs for calculating the lineshapes in both coupled and uncoupled spin systems
www.chemistry.mcmaster.ca/~bain/mexmanc.html
- ModelFree - ModelFree is a program for optimizing "Lipari-Szabo model free" parameters to heteronuclear relaxation data.
cpmcnet.columbia.edu/dept/gsas/biochem/labs/palmer/software/modelfree.html
- NMRPen NMR Shift Prediction Software - Software for predicting the chemical shift of various compounds.
home.earthlink.net/~hiltonevans/nmrpen.htm
- Predicting NMR Spectra - Advanced Chemistry Development offers the industry standard HNMR, CNMR, XNMR, and 2D NMR prediction software and databases.
www.acdlabs.com/products/spec_lab/predict_nmr
- SHIFTY - A web based chemical shift predictor for 1H, 13C and/or 15N chemical shifts of proteins and peptides.
www.bmrb.wisc.edu:8999/shifty.html
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