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Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster
The assumption that nuclear motion is classical explains many phenomena. The problems of Schrödinger’s cat and the EPR paradoxon do not exist in a perfectly deterministic theory. All it needs is to describe nuclear motion classically right from the beginning. To establish this simple idea, it must b...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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MDPI
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10534396/ https://www.ncbi.nlm.nih.gov/pubmed/37764233 http://dx.doi.org/10.3390/molecules28186454 |
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author | Frank, Irmgard |
author_facet | Frank, Irmgard |
author_sort | Frank, Irmgard |
collection | PubMed |
description | The assumption that nuclear motion is classical explains many phenomena. The problems of Schrödinger’s cat and the EPR paradoxon do not exist in a perfectly deterministic theory. All it needs is to describe nuclear motion classically right from the beginning. To establish this simple idea, it must be tested for as many examples as possible. In the present paper, we use ab initio molecular dynamics to investigate the infrared spectrum of a ‘magic’ protonated water cluster H [Formula: see text] O [Formula: see text] (H [Formula: see text] O) [Formula: see text] which exhibits some features that were believed to afford a quantum treatment of nuclear motion. The role of the temperature in contrast to a quantum mechanical description is discussed. |
format | Online Article Text |
id | pubmed-10534396 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-105343962023-09-29 Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster Frank, Irmgard Molecules Article The assumption that nuclear motion is classical explains many phenomena. The problems of Schrödinger’s cat and the EPR paradoxon do not exist in a perfectly deterministic theory. All it needs is to describe nuclear motion classically right from the beginning. To establish this simple idea, it must be tested for as many examples as possible. In the present paper, we use ab initio molecular dynamics to investigate the infrared spectrum of a ‘magic’ protonated water cluster H [Formula: see text] O [Formula: see text] (H [Formula: see text] O) [Formula: see text] which exhibits some features that were believed to afford a quantum treatment of nuclear motion. The role of the temperature in contrast to a quantum mechanical description is discussed. MDPI 2023-09-06 /pmc/articles/PMC10534396/ /pubmed/37764233 http://dx.doi.org/10.3390/molecules28186454 Text en © 2023 by the author. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Frank, Irmgard Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster |
title | Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster |
title_full | Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster |
title_fullStr | Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster |
title_full_unstemmed | Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster |
title_short | Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster |
title_sort | nuclear motion is classical: spectrum of a magic protonated water cluster |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10534396/ https://www.ncbi.nlm.nih.gov/pubmed/37764233 http://dx.doi.org/10.3390/molecules28186454 |
work_keys_str_mv | AT frankirmgard nuclearmotionisclassicalspectrumofamagicprotonatedwatercluster |