Analytical links

• Agilent Technologies (former Hewlett Packard) Chemical Analysis User Contributed Software:
• Capillary Column Method Translator for Win95/ NT mt2aaset.zip 2,9MB (mirror)
• GC Pressure/Flow Calculator for Win95/ NT flow205.exe self-extracting file 0,7MB (mirror)
• HighChem  Information Systems for MS
• easy structure drawing tool for  Win95/ NT Structure_Editor.exe 1,2MB (mirror)
• ACD/Labs Products with good freeware including ChemSketch
• MASP - Predicting Mass Spectra of Combinatorial Libraries
• Molecular Weight Calculator download and explanation from Matthew Monroe
• MolMass is a java applet which calculates all possible molecule masses on the basis the isotopes of the constituent atoms.
• Isotope Simulators for Windows MS/MS Software (freeware) program was created at Cornell University
• Chempute demonstration download page, chemical engineering ...Prepare to fill out a registration form
• MDL download ISIS draw and Chime for free.
• Web based Calculators
• Sheffield ChemPuter Isotope Patterns calculator
• MolE - Molecular Mass Calculator, University of Utah
• Elemental Composition Calculator University of Utah
• ChemCalc calculates the molecular formula, molecular mass, exact mass, elemental analysis and plots the isotopic distribution graph.
• Isotopic distribution by Scientific Instrument Services
• Molecular Mass Calculation at chemie.de
• RasMol is a free program which displays molecular structure
• Chime is the web based brother of rasmol
• Umetrics: Modde, Simca. Nice demo-versions! (experimental design and multivariate data analysis and modeling)
• MultiSimplex: MultiSimplex: a Windows-based software for experimental design and optimization. Free demo!
• vibrationdata.com Not straight chemistry but lot of useful scientific software. The software and tutorials require a username and password. The subscription cost is $24.00
• Infometrix Pirouette a chemometrics modeling software for Windows $4000
• ChemWindow and some free ware
• ChemKey Organic Synthetic Method Computer Database $325
• CompuChem ChemTools and evaluation and demo versions after registration. (No prices)
• Acorn NMR Inc.: Nuts, post-processing of NMR data, shareware
• ChemInnovation Chemistry 4-D Draw, free demo
• SPOT Chemie,  Naturwissenschaftliche und technische Software zum Download (übersichtlich, supergut)
• Software links (englisch and german via searchform @chemie.de)
• Software Reviews from the CTI Centre for Chemistry. No download!