Hydrogen Intramolecular Stretch Redshift in the Electrostatic Environment of Type II Clathrate Hydrates from Schrödinger Equation Treatment
The one-dimensional Schrödinger equation, applied to the H<sub>2</sub> intramolecular stretch coordinate in singly to quadruply occupied large cages in extended Type II (sII) hydrogen clathrate hydrate, was solved numerically herein via potential-energy scans from classical molecular dynamics (MD),...
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| Autori principali: | , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
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MDPI AG
2020-11-01
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| Serie: | Applied Sciences |
| Soggetti: | |
| Accesso online: | https://www.mdpi.com/2076-3417/10/23/8504 |
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