Topic: thermochemistry Goto Github
Some thing interesting about thermochemistry
Some thing interesting about thermochemistry
thermochemistry,Computation of complex chemical equilibria of perfect gases and pure condensed species in order to characterize rocket motor performance. This software intends to be a replacement for the highly useful propep while allowing more flexibility. Original author: Antoine Lefebvre
User: a-lberto
Home Page: http://rocketworkbench.sourceforge.net/
thermochemistry,CRFlowLib is a collection of computational libraries to simulate chemically reacting flows employing ISAT algorithm.
User: americocunhajr
thermochemistry,PaSR-SDE is a code to simulate premixed turbulent combustion in a partially stirred reactor using stochastic mixing models.
User: americocunhajr
thermochemistry,Statistical analysis of the thermochemistry of polycyclic aromatic hydrocarbons (PAHs) with google AppsScript and Scikit-learn based on calculations by Blanquart and Pitsch.
User: brendangerardlucas
thermochemistry,A Python based open-source tool for solving gaseous combustion problems
Organization: combustiontoolbox
thermochemistry,A MATLAB-GUI based open-source tool for solving gaseous combustion problems
Organization: combustiontoolbox
Home Page: https://combustion-toolbox-website.readthedocs.io
thermochemistry,Stand-alone thermochemistry in python for ORCA and Gaussian.
User: eljost
thermochemistry,Explosives Calculation: Compute the main theoretical characteristics of explosives.
User: enriqueph
thermochemistry,Utilidades docentes para las prácticas de las asignaturas de explosivos y voladuras impartidas en las titulaciones de Minas de la Escuela de Minas y Energía de la Universidad de Vigo
User: fgbastante
thermochemistry,⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.
Organization: geem-lab
Home Page: https://geem-lab.github.io/overreact-guide/
thermochemistry,Data used for testing overreact. Includes data related to a manuscript in preparation.
Organization: geem-lab
Home Page: https://geem-lab.github.io/overreact-guide/
thermochemistry,⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data
Organization: geem-lab
Home Page: https://geem-lab.github.io/overreact-guide
thermochemistry,Data and scripts for comprehensive benchmark of conformer relative energies
User: ghutchis
Home Page: https://doi.org/10.1002/qua.26381
thermochemistry,Tools for calculation of thermodynamic properties using the Debye approximation
User: jjofres
thermochemistry,A MOOSE application dedicated to general Chemical ReAction NEtworks for plasma chemistry and thermochemistry problems.
Organization: lcpp-org
Home Page: https://crane-plasma-chemistry.readthedocs.io/
thermochemistry,Python package for computing thermochemical properties of molecules and solids in the anharmonic approximation.
User: lmmentel
thermochemistry,Thermochemistry Package Implemented in Pure Julia
User: mizu-bai
thermochemistry,Content for the site https://moldis-group.github.io/pople/
Organization: moldis-group
thermochemistry,Machine learning for molecular property prediction
User: mrodobbe
thermochemistry,Machine learning method for predicting molecular properties
User: mrodobbe
thermochemistry,Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
Organization: patonlab
Home Page: http://www.patonlab.colostate.edu
thermochemistry,Compendium for Cubillos et al. (2019): Towards More Reliable Analytic Thermochemical-Equilibrium Abundances
User: pcubillos
thermochemistry,Python tools for automating routine tasks encountered when running quantum chemistry computations.
Organization: qchasm
Home Page: https://aarontools.readthedocs.io/en/latest/
thermochemistry,Thermodynamics powered by Machine Learning
User: soap-tastes-ok
thermochemistry,ChemApps provides a suite of utility tools and programs for thermochemistry and chemical kinetics
User: stigrs
thermochemistry,Python Multiscale Thermochemistry Toolbox (pMuTT)
Organization: vlachosgroup
Home Page: https://vlachosgroup.github.io/pMuTT/
thermochemistry,Taffi component increment theory used to predict enthalpy of formation, standard entropy and heat capacity.
User: zhaoqy1996
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