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Computational Chemistry

Computational Chemistry Software Links

ccl.net - computational chemistry list

GAMESS Home Page

PC GAMESS Home Page

Molecular Modeling Reference

Computational Chemistry Software

Molecular Structure Calculations

The CENTER FOR MOLECULAR MODELING

The Molecular Modeling Group at DISAABA (Software / Tutorials / Databases)

Molecular Modeling at Lebanon Valley College

Wavelet Transform in Chemistry: 1989 - 2002

Hyper Chemistry

Chemistry Hypermedia Project

TORVS Research Team Home Page

TORVS - Chemical Internet Services

ChemVis - Chemical Visualization on the Internet

TeleSpek - Spektreninterpretation über das WWW

Spectroscopic Tools online

Chemometrics

Introduction to Chemometrics

Introduction to Factor Analysis

Rasmus Bro - multi-way analysis and applied regression

Chemometrics info on multivariate calibration data analysis, design of experiments, regression modeling, ...

Chemometrics Links

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Applied Chemometrics Inc.

Eigenvector Research, Inc.

Umetrics AB

Galactic PLSplus/IQ - Spectroscopy Chemometrics Toolbox

PRS Xtricator

Camo Unscrambler

The MathWorks - MATLAB Introduction

Open Directory - Science: Math: Software: MATLAB

Mathtools.net: The technical computing portal for all your scientific and engineering needs.

Factor Analysis Toolbox (MatLab)

MatLab Algorithms and source code

CENG 303 Matlab Contents - Rice U.