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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Arrows is a service put online by EMSL, the creators of Nwchen. It allows you to submit Nwchen jobs by just sending your input to arrows@emsl.pnnl.gov.
A_Guide_to_Molecular_Mechanics_and.pdf
10.7 MB
A Guide to Molecular Mechanics and Quantum Chemical Calculations - Warren J. Hehre
AIMALL is a software to study the popular QTAIM. With this software you can dig into the nature of bonds and intermolecular interactions. This version is not the most up-to-date but it is the full version. Enjoy. https://1drv.ms/u/s!AscFK8cOesFhhaRMDuoOy7fWzEGzug?e=pmhruG