User:Karsten Theis/Sandbox 1
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Here is the pentane molecule. Here is how it can rotate around its single bonds to get a different conformation:
load $pentane; rotate BRANCH [1 2 3 4 0 900 3 2 1 0 1800 0] 10
For large structures, use label "%D" to find numbers of selected atoms.
Metallorganic framework hexagonal or cubic
(basic)
Table
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References
- ↑ Steinmetz M, Grimme S. Benchmark study of the performance of density functional theory for bond activations with (ni,pd)-based transition-metal catalysts. ChemistryOpen. 2013 Jun 1. doi: 10.1002/open.201300012. PMID: 24551548.
