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Prediction Software

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

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	Gaussian Inc. - http://www.gaussian.com/ Gaussian structure calculation software for your PC.
	BioMagResBank - http://www.bmrb.wisc.edu/ Repository for data from NMR spectroscopy on proteins, peptides, and nucleic acids.
	Modgraph Consultants Ltd. - http://www.modgraph.co.uk/index.htm Extensive data base of compounds and NMR prediction software.
	Predicting NMR Spectra - http://www.acdlabs.com/products/spec_lab/predict_nmr/ Advanced Chemistry Development offers the industry standard HNMR, CNMR, XNMR, and 2D NMR prediction software and databases.
	MEXICO and MEX - http://www.chemistry.mcmaster.ca/~bain/mexmanc.html Chemical Exchange Lineshape Software. This is a set of programs for calculating the lineshapes in both coupled and uncoupled spin systems

	H1 Prediction - http://www.colby.edu/chemistry/NMR/H1pred.html WEB based prediction of proton chemical shifts.
	ScienceSoft's NMR Software Site - http://www.sciencesoft.net/ Automated optimization and analysis of multi-dimensional Nuclear Magnetic Resonance spectra using NMRanalyst, AssembleIt, LockIt, and ShimIt.
	ModelFree - http://cpmcnet.columbia.edu/dept/gsas/biochem/labs/palmer/software/modelfree.html ModelFree is a program for optimizing "Lipari-Szabo model free" parameters to heteronuclear relaxation data.
	HyperNMR - http://www.hallogram.com/science/hypernmr/index.html Commercial program for a priori prediction of one-dimensional NMR spectra
	Chemical shifts for deuterated solvents - http://www.chem.ucla.edu/~bacher/General/30BL/NMR/deuterosolvents.html A table.

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