Computational and Quantum Chemistry – Telegram
Computational and Quantum Chemistry
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A group dedicated to everything about theoretical and computational/quantum chemistry.
Please, write in English only. Keep on-topic. Be respectful always.
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The chemical bond fundamental aspects of chemical bonding.pdf
7.4 MB
The chemical bond fundamental aspects of chemical bonding by Frenking, Gernot Shaik
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08 - Serena DeBeer - Introduction to X-ray Spectroscopy - mainly CAS and a bit of XES
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09 - Felix Tuczek - Optical Absorption Spectroscopy and MCD Spectroscopy
Chemical_Bonding_and_Molecular_Geometry_From_Lewis_to_Electron_Densities.pdf
13.9 MB
Chemical Bonding and Molecular Geometry. From Lewis to Electron Densities
Python_for_the_Life_Sciences_A_Gentle_Introduction_to_Python_for.pdf
12.4 MB
Python for the Life Sciences A Gentle Introduction to Python for Life Scientists
Python_Programming_and_Numerical_Methods_A_Guide_for_Engineers_and.pdf
3.5 MB
Python Programming and Numerical Methods. A Guide for Engineers and Scientists
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11 - Shengfa Ye - Correlation of Electronic Structure with Reactivity
Version 6.4 of the new semi-epirical method XTB2 was just released
XTB can perform calculations on systems with 1000s of atoms at almost no computational cost.
Get the release here: https://github.com/grimme-lab/xtb