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  • MARDIGRAS and CORMA
  • corma (COmplete Relaxation Matrix Analysis) is a FORTRAN program for calculating the dipole-dipole relaxation matrix for a system of protons and converting that to intensities expe
  • IUPAC JCAMP-DX
  • / In 1995 IUPAC took over responsibility for the JCAMP-DX range of scientific standards from the Joint Committee on Atomic and Molecular Physical Data (JCAMP). Since then a IUPAC Wo
  • Infometrix, Inc.
  • Infometrix is a leading developer of software products in the field of Chemometrics, employing pattern recognition and modeling techniques for the analysis of multivariate data set
  • Guide to the software and database for the modelling, analysis and visualisation of surface science data (Partly Free)
  • This is a guide to the software tools available for the modelling, analysis and visualisation of surface science data. It includes: curve fitting, data aquisition, and spectral/ima
  • Galactic, Thermo Electron Corporation (spectroscopy software)
  • Galactic Industries Corporation, the spectroscopy software solutions company, was incorporated in March of 1986 to design, develop, and supply data acquisition and processing softw
  • Elem
  • Elem is a very simple program for the interpretation of elemental analysis results. It is text based, and could run on anything that has a command line and a C compiler (it has bee
  • Eigenvector Research, Inc.,
  • Eigenvector Research was founded by Barry M. Wise and Neal B. Gallagher. Both co-founders hold doctorates in chemical engineering and have broad experience modeling chemical system
  • Deconvolution and Entropy Consulting
  • Deconvolution and Entropy Consulting is the home of Electronic Structure Tools. Contact Information: Telephone: 607-275-0114 Postal address: 755 Snyder
  • Datasqueeze Software
  • Datasqueeze 2.2 is a graphical interface for analyzing data from 2D x-ray diffraction detectors (wire, image plate, CCD), running on Windows, Linux, and Macintosh OS X. The interfa
  • Chemical Reaction Stoichiometry (CRS, Tutorial, Java Applet, and Resources)
  • The web offers free resources related to Chemical Reaction Stoichiometry. Three essential ingredients of CRS:the concept of conservation of types and amounts of atomic species duri
  • Chemical Markup Language (CML) Development Site
  • Demonstrates how a XML marked up molecule (CML) can be displayed in a variety of different ways - in particular, passing structural and spectral information onto applets (JME, JMol
  • Applied Chemometrics
  • Applied Chemometrics, founded by Richard Kramer, is a comprehensive resource for chemometrics software, training, consulting and support. It markets a variety of third party produc
  • Analytical Information Markup Language "AnIML"
  • Analytical Information Markup Language is the developing XML standard for analytical chemistry data and is currently in pre-release form. It is a combination of: A highly flexible
  • MATLAB code and public data sets in chemometrics
  • The site gives MATLAB source code and some public data sets for multivariate data analysis.  Maintained by Rasmus Bro Rasmus Bro, Associate Professor
  • KnowItAll Informatics System 2.0
  • HaveItAll IR Datasheet: HaveItAll IR puts the world's largest infrared spectral collection of over 220,000 spectra of pure organic and commercial compounds all on one CD for secure
  • ChemVis project and demos (Chemical Visualization on the Internet)
  • The ChemVis project is one of 23 research projects in the strategic research initiative "V3D2" ("Distributed Processing and Exchange of Digital Documents") of t
  • eRPortal Asset and Maintenance Management
  • The eRPortal™ Software Group is a developer and leading provider of enterprise asset management, maintenance management, and materials tracking software that enable companies
  • Freezerworks
  • Freezerworks offers unparalleled time-saving features that will streamline sample tracking and management workflow in high volume laboratories. With Freezerworks, entering a large
  • Core LIMS
  • Core LIMS is a state of the art web-based, customizable Laboratory Information Management System in production use by customers in a wide variety of industries. Every Core LIMS ins
  • AgileBio
  • AgileBio is specialized in technological IT solutions for life sciences, R&D and other industries. We provide a wide range of software development services and ready-to-impleme
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