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Dimethyl ether in nanotubes: Structural variations and conformational preferences |
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| Authors: | Kuznetsov V V |
| Institution: | 1.Ufa State Aviation Technical University, ul. K. Marksa 12, Ufa, 450008, Bashkortostan, Russia ;2.Ufa State Petroleum Technological University, ul. Kosmonavtov 1, Ufa, 450062, Bashkortostan, Russia ; |
| Abstract: | Russian Journal of Organic Chemistry - DFT quantum chemical calculations with the Perdew–Burke–Ernzerhof (PBE) hybrid functional and triple-zeta (3ζ) basis set showed that the... |
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