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Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this

Externí odkaz: http://arxiv.org/abs/2004.12023

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Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3657::4becce96a6c8ebaafcf49b7eef94a3b0
http://hdl.handle.net/11577/3339402

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