Collegeboard Ap Chemistry
This module calculates the cash on delivery fees for following shipping modules:'ap' (Austrian Post AG),'dp' (German Post AG),'flat' (Flat Rate),'item' (Per Item),'table' (Table Rate),'ups' (United Parcel Service),'usps' (United States Postal Service),'zones' (Zone Based Rates).The payment module...
Platforms: Windows, *nix, PHP, BSD
License: Freeware | Download (61): Calculation of cash on delivery fees Download |
XDrawChem is a two-dimensional molecule drawing program. It is similar in functionality to other molecule drawing programs such as ChemDraw (TM, CambridgeSoft). It can read and write MDL Molfiles, and read ChemDraw text and binary files, to allow sharing between XDrawChem and other chemistry...
Platforms: Windows, Mac, *nix, C/C++, BSD Solaris
License: Freeware | Download (67): XDrawChem Download |
Function: Savitzky-Golay Smoothing and Differentiation Filter The Savitzky-Golay smoothing/differentiation filter (i.e., the polynomial smoothing/differentiation filter, or the least-squares smoothing/differentiation filters) optimally fit a set of data points to polynomials of different degrees....
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (49): Savitzky-Golay Smoothing and Differentiation Filter Download |
1 Introduction PLS-DA for data analysis in chemistry and OMICS studies. Also included in this package are 3 variable selection methods: 1) target projection (TP) 2) competitive adaptive reweighted sampling (CARS) 3) subwindow permutation analysis (SPA). SPA is based on model pupulation analysis...
Platforms: Matlab
License: Freeware | Size: 768 KB | Download (51): partial least squares-discriminant analysis and variable selection for high dimensional data Download |
The three-variable autocatalator is a prototype of complex dynamical behavior. Indeed, period doubling and chaos are found when the bifurcation parameter, nu, is varied between 0.10 and 0.20.The autocatalator's steps are the following:P->AP+C->A+CA->BA+2 B->3 BB->CC->DWhere P is a chemical...
Platforms: Matlab
License: Freeware | Size: 20.48 KB | Download (41): Bifurcation diagram for the three-variable autocatalator Download |
This is a little script that adds several Gaussian or Lorentzian functions with the appropriate full width at half max and height to generate and plot a spectrum. The input is an array containing frequency vs oscillator strength, desired fwhm of the peaks and method for generating the spectrum....
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (43): Generate Spectrum Download |
Computation of the residue curve map for the MTBE chemistry is presented in the program. The equilibrium, taking place in the liquid phase, transforms methanol and isobutene into MTBE with n-butane being an inert component. Thermodynamic data can be found in the excellent paper by Niang and...
Platforms: Matlab
License: Freeware | Size: 20.48 KB | Download (46): Residue Curve Map for the mixture MTBE/Methanol/isobutene/n-butane at P=1 atm Download |
The two programs computes residue curve maps for the methyl acetate and isopropyl acetate chemistries at atmospheric pressure. These calculations involve solving a complex system of differential algebraic equations (DAEs). This can be readily achieved using the built-in function of MatLab,...
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (51): Residue Curve Map for Homogeneous Reactive Quaternary Mixtures Download |
From undergraduate chemistry, we know how to test whether a reaction is 0th, 1st, or 2nd order by plotting different transformations of the data, and inspecting which plot fits the best.This program does the same thing. It transforms the data using different values of the order, attempting to...
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (40): orderseek - Finds chemical reaction order Download |
This is a complete set of MATLAB codes for calculating effective Pitzer inertias for large amplitude torsions. Specific examples included in the zip file were taken from the publication by Bryan M. Wong, Ryan L. Thom, and Robert W. Field in The Journal of Physical Chemistry A 110, 7406 - 7413...
Platforms: Matlab
License: Freeware | Size: 256 KB | Download (45): Pitzer Inertias Download |
It can be used to measure the total concentration of carbohydrate, protein, and lipid contents from solid wastes.The procedure was formulated to generate the detailed input required for the International Water Association (London, United Kingdom) Anaerobic Digestion Model number 1 (IWA-ADM1).The...
Platforms: Matlab
License: Freeware | Size: 266.24 KB | Download (43): Transformer: A Procedure to Estimate Proximate Analysis for Chemistry and Physics Download |
Soft Water Ware - Calculate ratio of hard to soft water needed for your aquarium Soft Water Ware is an electronic version of the Pearson???*a*?s Square, and allows the aquarist to quickly work out the ratios of (hard) tap water to (soft) rainwater required to make up water of a desired hardness...
Platforms: Mac
License: Freeware | Size: 901.12 KB | Download (46): Soft Water Ware Download |
The Nucleic Acid Modeling Tool(NAMOT) is a program to allow users to manipulate molecular models of nucleic acids based on a set of reduced co-ordinates developed at Los Alamos National Laboratory and the Max Planck Institute for Biophysical Chemistry.
Platforms: *nix
License: Freeware | Size: 1.09 MB | Download (35): NAMOT-Nucleic Acid MOdelling Tool Download |
ChemAzTech is an OpenSource (GPL licence) Web chemistry software connected to a MySQL database (L.A.M.P. software) which is storing molecules. You can manage a chemical laboratory database, with product's properties. Features MyChem + JChemPaint applet allow to the user to search by...
Platforms: *nix
License: Freeware | Size: 15.72 MB | Download (43): ChemAzTech Download |
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.
Platforms: *nix
License: Freeware | Size: 13.66 MB | Download (37): Open Babel for Linux Download |
Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. Cross-Platform: Molecular...
Platforms: *nix
License: Freeware | Size: 9.51 MB | Download (39): Avogadro for Linux Download |
Fsum Frontend is a free and easy-to-use tool that allows to compute message digests, checksums and HMACs for files and text strings. It supports drag-and-drop and you can handle multiple files at once. The checksum generated can be used to verify the integrity of the files.
It supports 96...
Platforms: Windows
License: Freeware | Size: 643.8 KB | Download (876): Fsum Frontend Download |
Wireless LAN security and management solution. Offers Access Point configuration, rogue AP detection and combined wired and wireless network monitoring.With dedicated RF Sensors the solution identifies the wireless network vulnerabilities and protects WLANs from intrusions and denial-of-service...
Platforms: Windows, *nix
License: Freeware | Size: 20 MB | Download (968): ManageEngine WiFi Manager Download |
Scientific data tables, more interesting than it sounds, really! Constants, data tables and formulae from the areas of Chemistry, Physics, Astronomy, Mathematics, and Geography with an inbuilt calculator, moon phase tool and other scientific trivia. The menus are fully configurable through the...
Platforms: Windows
License: Freeware | Size: 700 KB | Download (592): Techinfo Download |
Scientific data tables, more interesting than it sounds, really! Constants, data tables and formulae from the areas of Chemistry, Physics, Astronomy, Mathematics, and Geography with an inbuilt calculator, moon phase tool and other scientific trivia. The menus are fully configurable through the...
Platforms: Windows
License: Freeware | Size: 700 KB | Download (619): VirtualDrive Download |