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Home & Education Chemistry |
 BK Periodic Library |
| Periodic Library is an interactive periodic table of the elements. But it is more than simply a computerized version of the standard periodic table. It takes full advantage of your computer's capabilities to give you an in-depth look at the elements that make up our earth, the solar system, the galaxy... well, let's just say everything. |
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| MOPlot |
 13.9 MB |
 2000/XP |
| MOPlot - visualization program for fast molecular orbitals plotting from the outputs of the Gaussian 03/98/94, Molcas, Gamess/US quantum chemical calculation packages. This Molecular Orbital Plotting Program will prove to be easy-to-use and very efficient. MOPlot can display: - Geometries, including the Cartesian coordinate axes, atom numbers according to the geometry definition in the calculation. Molecules can be turned in all directions under mouse control, or, for more precision, using the controls in the "camera" menu. Bonds can be displayed as cylinders or as simple lines. - Mulliken atomic charges, group charges (charges of hydrogens summed into heavy atoms), and atomic spin populations (for open shell systems), if the corresponding information is available in the output of the calculation. - Molecular orbitals (hence the name of the program), according to the protocol defined by Haselbach and Schmelzer and described below. MO's can be from RHF; UHF alpha/beta (cf switch in the "MO" menu), or CASSCF calculations. SCF MOs are ordered by energies, CASSCF MOs or natural orbitals are ordered by occupation numbers. - Normal vibrations, both as displacement vectors and in animated form. For complex molecules where the calculation of the displacements may become slow, a "loop" mode is available to speed up the animation. - The gradient difference and derivative coupling vectors at conical intersections, as well as any linear combination of the orthonormalized vectors. |
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| QMForge |
12.9 MB |
2000/XP/2003/Vista |
| QMForge is a program used to analyze the results of quantum chemistry (DFT) calculations. Gaussian 98/03, ADF, GAMESS (US), GAMESS (UK), PC-GAMESS, Jaguar, and ORCA files are supported. The following analyses are available: - Mulliken Population Analysis (MPA) - C-squared Population Analysis (SCPA) - Overlap Population Analysis (OPA) - Mayer's Bond Orders - Charge Decomposition Analysis (CDA) - Fragment Analysis |
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| Buffer |
193 kB |
9x/2000/XP |
| Buffer is a freeware program that accepts a valid pH value and returns one or more methods of preparation of suitable buffers and a number of pH-indicators that change colors close to the pH value entered. Four relevant internet links dealing with the preparation and pH-calculation of buffers are directly accessible from within the program. | ||
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| CHEMMOL |
258 kB |
9x/2000/XP |
| CHEMMOL is a freeware program for the calculation of molecular masses and chemical analyses of compounds. It was written with the organic chemist in mind. Thus, apart form (most) of the elements a number of organic functional groups and some protecting groups were added. Likewise, all naturally occuring amino acids were added to the database. CHEMMOL readily parses inputlines like CuSO4.Aq5, H2C=CMe-COOPh, [NEt4].[Cl] and even protected peptides like Ac-Pro-Val-Gly-His-OBn without problems. | ||
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| ExactMass |
196 kB |
9x/2000/XP |
| Exact Mass is a freeware utility that accepts an exact mass as determined by Mass Spectrometry and lists possible compositions of the atoms S, O, N, C and H. Context-sensitive help is given on the statusbar. The program is self-explanatory for MS users. | ||
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| Infrared Pal |
325 kB |
9x/2000/XP |
| Infrared Pal is a program that may come in quite handy in interpreting IR-spectra of organic compounds. It is shipped with a small database that is suitable for global assignments of functional groups and structure-elements but the database can be modified, extended and tailored to specific needs. The program is self explanatory. Context-sensitive help is available on the statusbar. The database is a TAB-delimited text file that can also be loaded in a number of spreadsheet programs i.e. Excel for sorting or tailoring. | ||
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| Metastable |
199 kB |
9x/2000/XP |
| Metastables is a freeware program that accepts a mean mass value of a metastable ion (M*) and an exact value or estimate of the molecular ion (M+) and returns one or more possible combinations of ion-pairs that satify the equation: M* = (M2*M2)/M1 where where M1 and M2 are whole numbers with an error-tolerance of (+/-) 0.1 dalton. | ||
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| mRNA |
267 kB |
9x/2000/XP |
| mRNA is a freeware program that accepts a sequence of codons (mRNA) and translates this sequence into a protein. Codons are 3-letter words consisting of the bases A (Adenine), C (Cytosine), G (Guanine) and U (Uracil). Both the mMRA and produced peptide can be copied to the Clipboard be right-clicking the lines in the listbox. Internet links to relevant topics are displayed on the form. | ||
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| Virtual Chemistry Lab |
10.7 MB |
NT/2000/XP |
| A virtual chemistry laboratory, which has a lot of extra features. The program has a myriad of functions and is indeed a useful tool for teachers as well as for students and for those who are interested in Chemistry. The program is very intuitive - there is a virtual worktable and two panels - for lab instruments and for substances respectively. To perform a reaction the user just has to put the necessary containers on the worktable and put the needed substances in them. The program has a database of reactions and it can visualize those, which are studied in the seventh grade. For example, if you fill a lab glass with water and put sodium in it, you will see an animation not only of how the reaction goes but how the molecules of the two substances interact to produce the final result of the chemical reaction. In general, the way experiments are conducted is very simple and reminds of actual lab work. The program also includes an assistant which notifies of all the changes within the program. The program offers plenty of tools including the periodic table, the solubility table, the oxidizing and relative activity table and even a glossary. Should those not suffice, there is an additional number of tools - an equation editor and a unit converter. There is also a self-test, a scientific calculator, lab exercises/tasks and a lab log (in order to prepare reports of the experiments). | ||
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| Acid Calculator |
307 kB |
all |
| Acid Calculator can assist the winemaker in correcting the acidity (TA) level of wine. The winemaker simply defines the method of raising or lowering TA, the existing and desired TA levels, and batch size. The calculator will then calculate the additions needed to bring the wine to the desired TA level. | ||
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| Sulphite Calculator |
309 kB |
all |
| Sulphite Calculator can assist the winemaker in calculating the correct amount of sulphite to add in order to achieve desired free SO2 levels in wine. Many tables have been devised for this purpose, however these tables are relatively inflexible in that each table is normally designed for particular sulphite forms (e.g. 10% potassium metabisulphite solution). These tables may not correspond to the practices of the individual winemaker. With Sulphite Calculator, the winemaker can precisely define the sulphite source, sulphite form, and batch size. The software can then calculate the exact amount of sulphite required in order to obtain desired free SO2 levels | ||
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| Chemix |
557 kB |
all |
| This small Flash utility will help you to draw lab apparatus (the most common ones) and compose them into a whatever you want. It is NOT a professional's tool, but it's relatively good for quick presentations and also quite simple to use (although editing is rather quirky). There is no help to this file, but I believe this program is so simple that you can figure it all out. | ||
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| Periodic Table |
2.4 MB |
98/ME/2000/XP |
| Application containing all the elements of the Periodic Table along with images of the elements in their natural state. Features include: - Detailed information on each element - Images for each element (126 images in total) - Glossary - Graphs of important element properties - Biographies for the element discoverers - Interactive display allows you to view the states of the elements at any temperature (from 0 - 6000 K) - XP style support - Search the all of the element, biography and glossary pages - Electron shell diagrams of each element - Atomic width diagram - Element names and the majority of the applications buttons are now available in eight different languages. The version 2.0+ Periodic Table requires a screen resolution of 1024x768 or greater. |
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| ChemOffice Viewer |
36 MB |
2000/XP |
| ChemOffice Viewer is a free basic structure and database viewer without the capability to print, save, copy or paste a modified drawing. ChemOffice Viewer consists of ChemDraw Viewer and ChemFinder Viewer. If you just want to view ChemDraw structures and ChemFinder databases, this is for you. | ||
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| Chemistry True Type Font |
84 kB |
all |
| Chemistry specific TrueType font set contains an assortment of characters including: - equilibrium double arrows - orbital boxes with 0, 1 and 2 electrons - a number of characters at 90 and 45 degree angles including: pairs of electrons, single and double bonds, dotted lines, single arrows and bond projections - delta + and delta - (as single characters) - triple bond (identity) - not equal to, much greater than, etc. - larger sized minus sign |
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| SweetMollyGrace |
8.65 MB |
95/98/NT/ME/2000/XP |
| SweetMollyGrace is a suite of freeware tools for automating work of rendering and animating molecules. Imports molecules in PDB, MOL XYZ format (Babel) Generates high quality images of molecules using raytracing tools (Povray and Raster3D). Makes 4 kinds of animation (only rotation around axes) using frames generated by Povray, Raster3D, Rasmol and Qmol. Saves animation in AVI, MPEG, GIF, MOV and FLIC. Generates and views 3D files (without texture) in the following formats: VRML (WRL) Autocad (DXF), 3DStudio (3DS) Wavefront (OBJ) Lightwave (LWO) DirectX (X) and RAW. Imports and manages POV and VRML files generated by Accelrys "ViewerLite 5.0" (not included download). Makes and views Postscript (PS) images. | ||
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