Matches in SemOpenAlex for { <https://semopenalex.org/work/W1987304816> ?p ?o ?g. }
- W1987304816 endingPage "210" @default.
- W1987304816 startingPage "201" @default.
- W1987304816 abstract "Stable geometries and electronic structures of ammonia cluster ions NH4+(NH3)n−1 (n=1–17) are investigated by the ab initio theory in order to clarify the origin of the observed magic number. Since the ammonium ion NH4+ brings about a large attraction to ammonia monomers, the stable geometries of NH4+(NH3)n−1 (n=1–17) have shell structures around the ion. The calculated binding energy, which well reproduces the experimental ones, decreases monotonically as the cluster size increases. Gibbs free energies are also estimated with the use of the calculated electronic and vibrational energies. The Gibbs free energy curve with respect to the cluster size gives a minimum at n=5 in comparatively wide temperature and pressure region, which corresponds to the experimental magic number. The minimum is found to be due to two competitive factors; that is, the nonlinear aspect of the binding energy and the linear instability of the translational entropy as the cluster size increases." @default.
- W1987304816 created "2016-06-24" @default.
- W1987304816 creator A5019452151 @default.
- W1987304816 creator A5022286198 @default.
- W1987304816 creator A5044481817 @default.
- W1987304816 creator A5072186573 @default.
- W1987304816 creator A5081081592 @default.
- W1987304816 creator A5087722040 @default.
- W1987304816 date "2000-12-01" @default.
- W1987304816 modified "2023-09-25" @default.
- W1987304816 title "Theoretical study on ammonia cluster ions: nature of thermodynamic magic number" @default.
- W1987304816 cites W1964981843 @default.
- W1987304816 cites W1979287710 @default.
- W1987304816 cites W1987575588 @default.
- W1987304816 cites W1994047809 @default.
- W1987304816 cites W1997465342 @default.
- W1987304816 cites W2017272419 @default.
- W1987304816 cites W2019306686 @default.
- W1987304816 cites W2022088069 @default.
- W1987304816 cites W2023271753 @default.
- W1987304816 cites W2026132353 @default.
- W1987304816 cites W2038533471 @default.
- W1987304816 cites W2056083565 @default.
- W1987304816 cites W2057086087 @default.
- W1987304816 cites W2062340785 @default.
- W1987304816 cites W2069006374 @default.
- W1987304816 cites W2086404587 @default.
- W1987304816 cites W2086957099 @default.
- W1987304816 cites W2143981217 @default.
- W1987304816 cites W4230151690 @default.
- W1987304816 cites W4241570951 @default.
- W1987304816 doi "https://doi.org/10.1016/s0301-0104(00)00307-4" @default.
- W1987304816 hasPublicationYear "2000" @default.
- W1987304816 type Work @default.
- W1987304816 sameAs 1987304816 @default.
- W1987304816 citedByCount "16" @default.
- W1987304816 countsByYear W19873048162013 @default.
- W1987304816 countsByYear W19873048162018 @default.
- W1987304816 countsByYear W19873048162019 @default.
- W1987304816 countsByYear W19873048162020 @default.
- W1987304816 countsByYear W19873048162021 @default.
- W1987304816 crossrefType "journal-article" @default.
- W1987304816 hasAuthorship W1987304816A5019452151 @default.
- W1987304816 hasAuthorship W1987304816A5022286198 @default.
- W1987304816 hasAuthorship W1987304816A5044481817 @default.
- W1987304816 hasAuthorship W1987304816A5072186573 @default.
- W1987304816 hasAuthorship W1987304816A5081081592 @default.
- W1987304816 hasAuthorship W1987304816A5087722040 @default.
- W1987304816 hasConcept C121332964 @default.
- W1987304816 hasConcept C145148216 @default.
- W1987304816 hasConcept C146477669 @default.
- W1987304816 hasConcept C147597530 @default.
- W1987304816 hasConcept C159467904 @default.
- W1987304816 hasConcept C164866538 @default.
- W1987304816 hasConcept C178790620 @default.
- W1987304816 hasConcept C184779094 @default.
- W1987304816 hasConcept C185592680 @default.
- W1987304816 hasConcept C199360897 @default.
- W1987304816 hasConcept C2776382133 @default.
- W1987304816 hasConcept C2776921874 @default.
- W1987304816 hasConcept C2781442258 @default.
- W1987304816 hasConcept C3017540586 @default.
- W1987304816 hasConcept C41008148 @default.
- W1987304816 hasConcept C8010536 @default.
- W1987304816 hasConcept C86025842 @default.
- W1987304816 hasConcept C93282013 @default.
- W1987304816 hasConcept C97355855 @default.
- W1987304816 hasConceptScore W1987304816C121332964 @default.
- W1987304816 hasConceptScore W1987304816C145148216 @default.
- W1987304816 hasConceptScore W1987304816C146477669 @default.
- W1987304816 hasConceptScore W1987304816C147597530 @default.
- W1987304816 hasConceptScore W1987304816C159467904 @default.
- W1987304816 hasConceptScore W1987304816C164866538 @default.
- W1987304816 hasConceptScore W1987304816C178790620 @default.
- W1987304816 hasConceptScore W1987304816C184779094 @default.
- W1987304816 hasConceptScore W1987304816C185592680 @default.
- W1987304816 hasConceptScore W1987304816C199360897 @default.
- W1987304816 hasConceptScore W1987304816C2776382133 @default.
- W1987304816 hasConceptScore W1987304816C2776921874 @default.
- W1987304816 hasConceptScore W1987304816C2781442258 @default.
- W1987304816 hasConceptScore W1987304816C3017540586 @default.
- W1987304816 hasConceptScore W1987304816C41008148 @default.
- W1987304816 hasConceptScore W1987304816C8010536 @default.
- W1987304816 hasConceptScore W1987304816C86025842 @default.
- W1987304816 hasConceptScore W1987304816C93282013 @default.
- W1987304816 hasConceptScore W1987304816C97355855 @default.
- W1987304816 hasFunder F4320320912 @default.
- W1987304816 hasFunder F4320322638 @default.
- W1987304816 hasIssue "2-3" @default.
- W1987304816 hasLocation W19873048161 @default.
- W1987304816 hasOpenAccess W1987304816 @default.
- W1987304816 hasPrimaryLocation W19873048161 @default.
- W1987304816 hasRelatedWork W2025821702 @default.
- W1987304816 hasRelatedWork W2060089607 @default.
- W1987304816 hasRelatedWork W2093412273 @default.
- W1987304816 hasRelatedWork W2205724574 @default.
- W1987304816 hasRelatedWork W2329652886 @default.
- W1987304816 hasRelatedWork W2391374516 @default.