Alexandria Library

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Ghahremanpour, Mohammad Mehdi; van Maaren, Paul; van der Spoel, David;
(2017)

<p>The Alexandria library is as an open access quantum-chemical database <br> of molecular optimized geometries, frequencies, thermochemistry, polarizability and molecular electric moments<br> for organic and inorganic molecules. The name<br> Alexandria highlig... View more
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