| DOI | Resolve DOI: https://doi.org/10.1016/S0009-2614(01)00741-2 |
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| Author | Search for: Fernandez-Ramos, Antonio; Search for: Smedarchina, Zorka1; Search for: Pichierri, Fabio |
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| Affiliation | - National Research Council of Canada. NRC Steacie Institute for Molecular Sciences
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| Format | Text, Article |
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| Abstract | The structure, energetics and vibrational force field of calix[4]arene (CA) are calculated for the chiral equilibrium configuration and the symmetric transition state for coherent quadruple proton transfer. The corresponding proton and deuteron tunneling splittings are evaluated with the instanton approach. The calculated zero-point proton tunneling splitting is compared with data reported for low-temperature NMR relaxometry experiments. |
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| Publication date | 2001-08-10 |
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| In | |
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| Language | English |
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| Peer reviewed | Yes |
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| NPARC number | 12327495 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | aa073954-a1f0-4ab3-93f2-eeddfb23ed9a |
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| Record created | 2009-09-10 |
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| Record modified | 2023-06-23 |
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