On The Question Of The Relationship Between The Rotational Motion Of Molecules And The Alternation Of Properties In Homological Series. Additional materials for the article
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https://data.mendeley.com/datasets/3n6wr3kkbx
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资源简介：
The data contains:
1) Calculation of the optimized coordinates of n-alkanes by the PBE method using the 6-311++G(2d,2p) basis set;
2) Calculation of the moments of inertia of n-alkanes using optimized coordinates;
3) Theoretical calculation of moments of inertia for carbon chains.
创建时间：
2020-10-30
