Best chemical software for free download

This Periodic Table is an excellent tool for both students and serious researchers. It has over 20 types of data on each element and all known isotopes in customizable, user-expandable tables. All sixteen numeric data types (plus any user-added data) can be corelated in particle or line graphs. Includes a powerful chemical equation balancer that can solve the most complex organic reactions and calculate molecular weights and amounts of reagents

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EBAS is a program for balancing chemical equations and stoichiometry calculations. Built in reagent database and concentration and ideal gas calculators simplify solving of all kinds of stoichiometry questions, both textbook and real life ones. To solve most questions it is enough to enter known information - program immediately balances equation, calculates molar masses of all substances, finds out limiting reagents and calculates stoichiometric amounts of all compunds involved. Concentration calculator helps in conversions between volume, mass (or number of moles) and concentrations, while ideal gas calculator helps to convert between mass/number of moles and volume of the gas for any temperature and pressure values.

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ChemDBsoft is chemical database software for management of chemistry databases of any size.

Data management features include: free structure drawer, 70+ template structures, fast and easy database creation, simple data views and browsing, easy database updates, import and export into various formats such as SDF and MOL, searches by structure and substructure, multiple database searches, multi-condition searches, duplicate removal, database comparison by any data field, barcode reader module, chemical web server for exposure of chemistry databases on the Internet.

Import/Export formats supported: SDF, MOL, JC, JCAMP, TXT, LST, and NIST MS

Calculation and prediction tools include: prediction of lipophilicity, solubility and the corresponding pH-dependent profiles and drug absorption (QSAR properties LogP, LogC, LogSw/Solubility and FA/absorption); diversity and similarity analysis; high-throughput screening and combinatorial chemistry module; MASS/NMR/IR spectra management;

Glossary of Chemicals: searchable database of more than 20,000 chemicals with names and structures. It can work with either Light or Standard versions of ChemDBsoft.

Routines for Synthesis Planning: material balance, composition, charge estimation, concentrations, dilution of solvents.

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Batteries, given their chemical nature, are prone to wear, corrosion, leakage and outright failure due to events like short circuits and lightning strikes. Given their propensity to fail and to have decreased performance over time, it is important to be able to identify and monitor their performance. With BatteryMon, monitoring the state of your battery has never been easier.
BatteryMon is an easy to use Windows program that allows the monitoring of laptop computer batteries and uninterruptible power supplies (UPS). Graphically see the battery charge / discharge rate, diagnose problem battery cells, compare your batteries performance with expected discharge rates and see the status of each individual battery pack (when multiple batteries are in use). Batteries and BIOS must comply with the Windows, Advanced Configuration and Power Interface (ACPI) specification in order for BatteryMon to work correctly. More than 20 statistics are provided including voltage levels, battery chemistry, full capacity level, current capacity, bias settings, device names and serial numbers. A log file is maintained of the battery charge level and other statistics for later analysis and the software comes with a comprehensive help file.

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BATE calculates pH of solutions containing mixtures of acid and base with up to 4 dissociation steps and titration curves for these acids and bases. Ionic strentgh can be calculated from the dissociated forms concentrations, omitted or forced upon the solution. Program contains editable database of common weak acids and bases and accepts acid and base dissociation constants and protonation constants as input, calculating all other types of constants as needed. Built in calculator allows easy calculation of molar masses and concentrations for a given substance formula. Printouts describing equlibrium contain information of concentrations and activties of all ions present in the solution, together with activity coefficients (if applicable). Titration printouts contain titration curves for both titrations (acid/base and base/acid) and pH of all end points. Extensive tutorial and help. Very low hardware requirements - if your Windows start, BATE will work.

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A cellular automaton consists of:

(a) A structure of cells, such as the squares on a chess board.
(b) A set of values or "states" such that each cell is associated with a particular state.
(c) A set of rules describing how one state of the system (a particular configuration of cells in specific states) is to be transformed or converted to another state of the system.

This is software for exploring five cellular automata, as follows:

1. An extended version of Conway's Life, called q-state Life.

2. A simulation of the Belousov-Zhabotinsky chemical reaction in which, beginning from a random state of the system, spirals and curlicues "spontaneously" emerge.

3. A process called Togetherness in which cells with random states move so as to maximize the number of neighbors of each cell in the same state as that cell (or, thought of in another way, in which the cells rearrange themselves so as to form maximal clusters of cells all having the same state).

4. Viral Replication, a simulation of a population of dividing cells subject to viral infection.

5. Diffusion-Limited Aggregation, illustrating a process in which particles diffuse (moving randomly) and aggregate to form a fractal structure.

The documentation provides a complete description of the algorithms used.

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