Molecular IR spectra simulations online

>> DOWNLOAD LINK 🎞️ #1 <<

>> DOWNLOAD LINK 🎞️ #2 <<

>> COPY / PASTE LINK PLEASE 🎵 MP3 <<

>> YOUR LINK HERE: ___ http://youtube.com/watch?v=1CuXqWvRv3g

Molecular IR spectra can now be calculated online with MLatom@XACS with DFT using a simple input file. • You can find the frequencies and the corresponding intensities in the output file. • Check out the online tutorial for the theoretical background of these calculations and sample input and output. • https://xacs.xmu.edu.cn/docs/mlatom/t... • Please check out the hands-on online mini-course Modern AI and computational chemistry by Prof. Pavlo O. Dral at https://xacs.xmu.edu.cn/course • #infrared #spectrum #simulation #molecule #dft #machinelearning #quantumchemistry #frequency

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