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Computational and Quantum Chemistry
频道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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https://cen.acs.org/synthesis/molecules-of-year-2026/104/web/2026/10?sc=261026_sc_eng_bs_cen
https://youtu.be/loqudG71uBM?is=naERCOFysKIhtcrD
🧪 Avogadro 2.1.0 Released! Avogadro, the free and open-source molecular editor and visualization software, has received a major update, bringing new features for computational chemistry, molecular modeling, and education. 🚀 What's New in Version 2.1.0? 🔹 New Z…
Digichem 8.1.1 – Computational Chemistry Software Digichem is a computational chemistry platform designed to simplify the setup, execution, management, and analysis of quantum chemistry calculations. It offers an interactive interface, automated result process…
ORCA 7 is coming! To celebrate the release, we're hosting an online ORCA 7 (FACCTs & Max-Planck-Institut für Kohlenforschung) Release Event on December 8 from 4-8 PM CET via Zoom (Link will be posted later). We'll introduce the new release, highlight key devel…
Posted by the ORCA Team
🚀 Big news for the computational chemistry and bioinformatics community! Our team has been working on modernizing MGLTools 1.5.6 to make it compatible with modern computing environments and easier to use for molecular docking and structural biology research. M…
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