FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2011736354> ?p ?o ?g. }

• W2011736354 endingPage "18830" @default.
• W2011736354 startingPage "18822" @default.
• W2011736354 abstract "We have employed a hierarchy of basis sets and computational techniques in order to approach the polarizability (α) of Znm, m = 2−20, in a systematic way. This procedure allows the proper approximate results to be selected and validated. More specifically, we have developed in a systematic way a series of basis sets that have been employed for the computation of the polarizability of the Zn atom. Comparison of the computed with the experimental and the best theoretical results allows us to comment on the quality of the basis sets, and to select some of the more successful ones in order to compute the polarizabilities of Znm, m = 2−20. We have employed a series of methods to take into account the correlation contribution. These include the following techniques: MP2, CC2, CCSD, CCSD(T), and DFT(B3LYP). We have used two effective core potentials, one small (3s23p63d104s2) and one large (4s2) core. The relativistic contribution to the properties is found to be significant. Thus we have studied in detail the relativistic effects on the polarizability of some small zinc clusters, by employing the Douglas-Kroll approximation in connection with the polarized basis sets developed by Kellö and Sadlej and the methods HF, CC2, and CCSD. Most of the polarizability values are static, but some frequency-dependent properties have also been computed in order to find out the difference between the dynamic and static ones. It is considered that the sharp changes of α(Znm)/m vs m may be correlated with the change of bonding, from van der Waals to covalent and finally to metallic bonding, in Znm. The present comprehensive study of the polarizabilities of Znm includes a limited number of results for the first and second hyperpolarizability of some of the considered zinc clusters." @default.
• W2011736354 created "2016-06-24" @default.
• W2011736354 creator A5009197800 @default.
• W2011736354 creator A5014043227 @default.
• W2011736354 creator A5036698902 @default.
• W2011736354 creator A5054725530 @default.
• W2011736354 creator A5071411775 @default.
• W2011736354 date "2005-09-15" @default.
• W2011736354 modified "2023-10-18" @default.
• W2011736354 title "A Comparative Study of the Dipole Polarizability of Some Zn Clusters" @default.
• W2011736354 cites W185394478 @default.
• W2011736354 cites W1966500578 @default.
• W2011736354 cites W1967447687 @default.
• W2011736354 cites W1969448429 @default.
• W2011736354 cites W1969762149 @default.
• W2011736354 cites W1970148666 @default.
• W2011736354 cites W1970693722 @default.
• W2011736354 cites W1974683588 @default.
• W2011736354 cites W1975141294 @default.
• W2011736354 cites W1977840226 @default.
• W2011736354 cites W1979810674 @default.
• W2011736354 cites W1981049088 @default.
• W2011736354 cites W1984319477 @default.
• W2011736354 cites W1989426418 @default.
• W2011736354 cites W1992961181 @default.
• W2011736354 cites W1993461592 @default.
• W2011736354 cites W1994621188 @default.
• W2011736354 cites W1995325596 @default.
• W2011736354 cites W1998436265 @default.
• W2011736354 cites W2001118156 @default.
• W2011736354 cites W2008273321 @default.
• W2011736354 cites W2011471213 @default.
• W2011736354 cites W2014392202 @default.
• W2011736354 cites W2017055258 @default.
• W2011736354 cites W2017419510 @default.
• W2011736354 cites W2019550041 @default.
• W2011736354 cites W2020459853 @default.
• W2011736354 cites W2022398788 @default.
• W2011736354 cites W2025175543 @default.
• W2011736354 cites W2027939630 @default.
• W2011736354 cites W2035518547 @default.
• W2011736354 cites W2035942888 @default.
• W2011736354 cites W2037102612 @default.
• W2011736354 cites W2046176366 @default.
• W2011736354 cites W2049079467 @default.
• W2011736354 cites W2049996223 @default.
• W2011736354 cites W2050757646 @default.
• W2011736354 cites W2052312990 @default.
• W2011736354 cites W2060738421 @default.
• W2011736354 cites W2061096801 @default.
• W2011736354 cites W2063346660 @default.
• W2011736354 cites W2064850352 @default.
• W2011736354 cites W2066992124 @default.
• W2011736354 cites W2070891384 @default.
• W2011736354 cites W2072821432 @default.
• W2011736354 cites W2074160476 @default.
• W2011736354 cites W2074889196 @default.
• W2011736354 cites W2076352429 @default.
• W2011736354 cites W2078515179 @default.
• W2011736354 cites W2084175677 @default.
• W2011736354 cites W2085125914 @default.
• W2011736354 cites W2093533925 @default.
• W2011736354 cites W2095171685 @default.
• W2011736354 cites W2096868202 @default.
• W2011736354 cites W2116910988 @default.
• W2011736354 cites W2121841321 @default.
• W2011736354 cites W2124202137 @default.
• W2011736354 cites W21277413 @default.
• W2011736354 cites W2142520105 @default.
• W2011736354 cites W2320010365 @default.
• W2011736354 cites W2791877797 @default.
• W2011736354 cites W4239985331 @default.
• W2011736354 cites W4242079039 @default.
• W2011736354 cites W655715115 @default.
• W2011736354 cites W905050515 @default.
• W2011736354 doi "https://doi.org/10.1021/jp050897s" @default.
• W2011736354 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16853422" @default.
• W2011736354 hasPublicationYear "2005" @default.
• W2011736354 type Work @default.
• W2011736354 sameAs 2011736354 @default.
• W2011736354 citedByCount "20" @default.
• W2011736354 countsByYear W20117363542012 @default.
• W2011736354 countsByYear W20117363542015 @default.
• W2011736354 countsByYear W20117363542017 @default.
• W2011736354 crossrefType "journal-article" @default.
• W2011736354 hasAuthorship W2011736354A5009197800 @default.
• W2011736354 hasAuthorship W2011736354A5014043227 @default.
• W2011736354 hasAuthorship W2011736354A5036698902 @default.
• W2011736354 hasAuthorship W2011736354A5054725530 @default.
• W2011736354 hasAuthorship W2011736354A5071411775 @default.
• W2011736354 hasConcept C11413529 @default.
• W2011736354 hasConcept C121332964 @default.
• W2011736354 hasConcept C121864883 @default.
• W2011736354 hasConcept C12426560 @default.
• W2011736354 hasConcept C139287275 @default.
• W2011736354 hasConcept C143724316 @default.
• W2011736354 hasConcept C147597530 @default.
• W2011736354 hasConcept C149635348 @default.

• next