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ERmod (Energy Representation Module) is a program to calculate the solvation free energy based on the energy representation method (J. Chem. Phys. 113, 6070 (2000)). The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation software, such as LAMMPS, GROMACS and/or AMBER.
The program does nmr product operator calculations for one, two, three and four spins. Receiver phase cycling is possible in conjunction with pulse phase cycling to simulate coherence pathway selection. An extensive manual and help files are included. Currently running under Linux and Windows.
Dieser Alkohol Rechner gibt dem Nutzer die Möglichkeit ungefähr seinen Alkoholgehalt im Blut zu bestimmen. Alle Angaben des Programms sind natürlich ohne Gewähr und natürlich kann der Alkoholgehalt auch wesentlich höher oder niedriger sein.
Java program for computations with values expressed in terms of physical or other units. Supports complicated mathematical expressions and user-defined functions. Invoked from scripts, line command, or as GUI. Extensive units data base.
Red Hat Ansible Automation Platform on Microsoft Azure
Red Hat Ansible Automation Platform on Azure allows you to quickly deploy, automate, and manage resources securely and at scale.
Deploy Red Hat Ansible Automation Platform on Microsoft Azure for a strategic automation solution that allows you to orchestrate, govern and operationalize your Azure environment.
ISL Equilibrium Calculator,which process solid-liquid equilibrium calculation by using Harvie extended Pitzer's ion
interaction electrolyte solution model and particle swarm optimization Gibbs free energy minimization (GEM). ISLEC is an efficient tool for solid-liquid equilibrium calculation, and can simulate the crystallization path of seawater and salt lake brines. ISLEC is suitable for related researches and process design.
Sudsy is a saponification calculator coded in Python. The CLI works fine, but the PyGTK version still needs some work...The interface is designed and it starts up, but some of the callbacks still need to be implemented. Let me know if you can help.
Command line molar mass calculator that provides typo checking and options for printing elemental analysis and saving a record of previously calculated molar masses.
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Chemical Calculator that can calculate various aspects of compounds.
The programs main features are:
* Get information about an element
* Calculate the amount of moles of an element
* Calculate the Empirical and Molecular formulas of a compound
The ISOTOPIC PATTERN CALCULATOR is a small linux tool for mass spectrometry. It calculates the isotopic distribution for a given chemical formula or peptide sequence.
GIPS is a GUI Version of the Isotopic Pattern Calculator.