Laws Of Thermodynamics Chemistry

Empowering students, teachers, and chemists to easily author documents in the language of chemistry is at the heart of the Chemistry Add-in for Word. Every discipline has its own language. And being able to communicate and collaborate in a discipline-specific language is essential to scientific...

Quantum Chemistry Import Tool is a django application that parses the output file of quantum chemistry software as NWChem, Octopus, Gaussian, etc. The result can be saved in relational database.

cclib is a Python library for parsing and interpreting the results of computational chemistry packages. Among other data, cclib extracts coordinates, atomic orbital information, molecular orbital information, information on vibrational modes, and the results of a TD-DFT calculation. cclib...


Platforms: *nix

ccwatcher monitors the progress of computational chemistry calculations during runtime. It has both a GUI and a 'Command Line Interface' to which it parses important output and plots SCF energies. Avogadro plugin capability is planned.


Platforms: Windows, Mac, Linux

An electronic Periodic Table of the Elements in German language (but translations may follow) made espiacially for pupils in the first years of learning chemistry.


Platforms: Windows, Mac, Linux

PyMOlyze is a graphical program to analyze the results of quantum chemistry (HF/DFT) calculations. Features include various population analyses, fragment analysis, monitoring structures during an optimization, and a simple, but powerful, XYZ editor.


Platforms: Windows, Mac, Linux

MacMolPlt is a Chemistry visualization tool that can be used to build molecules with an integrated graphical model builder, create input files for the GAMESS computational chemistry program, and then visualize the results of computational chemistry runs. Features include a high-quality 3D...


Platforms: Mac

Balls have varied sizes/masses and behave the laws of physics in their collisions. Vertical and horizontal walls. Swing based, with sound effects. Code is embarrassing. Nieces and nephews like it.


Platforms: Mac

Chemistry students and teachers shouldn+t miss this program. EniG. Chemistry Assistant is a specific calculator for chemical expressions. Maybe with this definition it isn+t clear enough what it does, but you+ll quickly see when you try it. You can precisely calculate the molecular weight of any...


Platforms: Windows

Time::Warp is a Perl module to control over the flow of time. SYNOPSIS use Time::Warp qw(scale to time); to(time + 5); # 5 seconds ahead scale(2); # make time flow twice normal Our external experience unfolds in 3 1/2 dimensions (time has a dimensionality of 1/2). The Time::Warp module...


Platforms: *nix

Circuit Aid contains a resistor circuit analysis tool that can build up to an 18 resistor series-parallel circuit. This tool will display voltage, amperage, and power used by every resistor in the circuit by means of mesh analysis. In addition, the program also contains a resistor color band...


Platforms: Mac

The project discusses the problematics of making a system of differential equations describing the transition processes in the operation of resistance furnaces, their realization through digital methods and the analysis of the achieved results. Solving of the problem thus formulated is carried...


Platforms: Matlab

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. This project offers a flexible rendering engine and a powerful plugin architecture. The main concept behind Avogadro...


Platforms: *nix

We here present a novel computer algorithm, called AutoClickChem, capable of performing many click-chemistry reactions in silico. In silico modeling of click-chemistry products may prove useful in rational drug design and drug optimization.


Platforms: Windows, Mac, Linux

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

Free, Creating wealth through quantum physics. There are just a few simple steps that when done consistently, daily, will change your life dramatically.... You will be amazed and astonished at how you can create your financial freedom. Get this free downloads today. This amazing program will...


Platforms: Windows, Windows CE

It would be difficult to find someone who doesn't know their Sun Sign but there are very few non-astrologers who know that each of us has his or her Moon Sign - the Sign of the Zodiac where the Moon was at the moment of their birth. As there is no day without night, the astrological description...


Platforms: Any

Perfect Desktop Enhancement for Mac or Windows cannot be just desktop wallpaper change or user interface appearance adjustment. Even if the detailed desktop decoration covers such things as icon customization and installing the most beautiful mouse cursors it is still has free space for special...


Platforms: Windows

A dream journal designed for dreamers in search of lucidity. Bring your dreams to life with interactive graphs that track dream content, sleep cycles, lucidity and even the moon cycle. Dreams are automatically organized by date for easy navigation and can be expanded to show common keywords...


Platforms: Windows, Windows 7

A GUI application which estimates toxic hazard of chemical compounds. The latest version includes the following toxicity prediction modules: -Cramer rules (oral toxicity) -Toxicity mode of action via Verhaar scheme -Skin irritation prediction -Eye irritation prediction -Benigni / Bossa...


Platforms: Windows, Mac, Linux