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Temperature-Indepen...
Temperature-Independent Nuclear Quantum Effects on the Structure of Water
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- Kim, Kyung Hwan (author)
- Stockholms universitet,Fysikum
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- Pathak, Harshad (author)
- Stockholms universitet,Fysikum
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- Späh, Alexander (author)
- Stockholms universitet,Fysikum
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- Perakis, Fivos (author)
- Stockholms universitet,Fysikum
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- Mariedahl, Daniel (author)
- Stockholms universitet,Fysikum
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- Sellberg, Jonas A. (author)
- KTH,Biomedicinsk fysik och röntgenfysik
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Katayama, Tetsuo (author)
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Harada, Yoshihisa (author)
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Ogasawara, Hirohito (author)
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- Pettersson, Lars G. M. (author)
- Stockholms universitet,Fysikum
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- Nilsson, Anders (author)
- Stockholms universitet,Fysikum
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(creator_code:org_t)
- AMER PHYSICAL SOC, 2017
- 2017
- English.
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In: Physical Review Letters. - : AMER PHYSICAL SOC. - 0031-9007 .- 1079-7114. ; 119:7
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Subject headings
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- Nuclear quantum effects (NQEs) have a significant influence on the hydrogen bonds in water and aqueous solutions and have thus been the topic of extensive studies. However, the microscopic origin and the corresponding temperature dependence of NQEs have been elusive and still remain the subject of ongoing discussion. Previous x-ray scattering investigations indicate that NQEs on the structure of water exhibit significant temperature dependence [Phys. Rev. Lett. 94, 047801 (2005)]. Here, by performing wide-angle x-ray scattering of H2O and D2O droplets at temperatures from 275 K down to 240 K, we determine the temperature dependence of NQEs on the structure of water down to the deeply supercooled regime. The data reveal that the magnitude of NQEs on the structure of water is temperature independent, as the structure factor of D2O is similar to H2O if the temperature is shifted by a constant 5 K, valid from ambient conditions to the deeply supercooled regime. Analysis of the accelerated growth of tetrahedral structures in supercooled H2O and D2O also shows similar behavior with a clear 5 K shift. The results indicate a constant compensation between NQEs delocalizing the proton in the librational motion away from the bond and in the OH stretch vibrational modes along the bond. This is consistent with the fact that only the vibrational ground state is populated at ambient and supercooled conditions.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Keyword
- kemisk fysik
- Chemical Physics
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Kim, Kyung Hwan
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Pathak, Harshad
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Späh, Alexander
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Perakis, Fivos
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Mariedahl, Danie ...
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Sellberg, Jonas ...
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show more...
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Katayama, Tetsuo
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Harada, Yoshihis ...
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Ogasawara, Hiroh ...
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Pettersson, Lars ...
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Nilsson, Anders
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show less...
- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
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and Condensed Matter ...
- Articles in the publication
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Physical Review ...
- By the university
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Stockholm University
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Royal Institute of Technology