Physical Chemistry Fun for Python!
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Updated
May 26, 2024 - Python
Physical Chemistry Fun for Python!
⚗ A package useful for chemistry written in Python
Code to calculate the vapor-liquid interface in ionic fluids using modified Gaussian renormalized fluctuation theory
Code for solving modified Gaussian renormalized fluctutation theory for a system of two charged plates
Code for solving modified Gaussian renormalized fluctuation theory for a single charged surface
This package intends to generate a quantitative metric in how similar IR plots of carbohydrate conformers. In addition, there are graphical functionalities to display molecular data.
fast and easy development of simulation methods and teaching purposes
A collection of Python-code that I use/have been using for my work in neutron diffraction, molecular magnetism and as a TA in physical chemistry
This is a software to help food scientists in their everyday lab work making easy to calculate physical chemical parameters in a range of food sources
UV-vis spectra simulation program from oscillator strength results.
A M.Sc project for classifying mineral spectra taken by handheld LIBS measurements using Python and the Keras framework.
Thrust curve modelling tool for hybrid NOs rockets
A short Python-based permutator for (microwave) frequency-loop calculations
A framework for 3D molecular fields calculations
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