FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2325156925> ?p ?o ?g. }

• W2325156925 endingPage "3121" @default.
• W2325156925 startingPage "3113" @default.
• W2325156925 abstract "This paper reports a systematic comparison of the performance of alternative methods of including relativistic effects on the nature of metal-metal bonding in the Re2Cl8(2-) anion. The comparison involved the description using a scalar relativistic Douglas-Kroll-Hess (DKH2) Hamiltonian with all-electron basis sets and the relativistic effective core potential (ECP) basis sets. The impact of the above methods on the picture of the bonding was analyzed using the so-called domain averaged Fermi holes (DAFH). Besides comparing the impact on the picture of the bonding of the two above methods, the focus was also put on the systematic comparison of the exact AIM generalized form of DAFH analysis with the approximate Mulliken-like approach used in an earlier DAFH study of ReRe bonding. It has been shown that in contrast to descriptions using ECP basis sets where the differences in the picture of the bonding emerging from the approximate and exact DAFH analysis are only marginal, the approximate DAFH approach has been found to dramatically fail in the case of all-electron basis sets required for the description in terms of the Douglas-Kroll-Hess (DKH2) Hamiltonian." @default.
• W2325156925 created "2016-06-24" @default.
• W2325156925 creator A5015959731 @default.
• W2325156925 creator A5067260222 @default.
• W2325156925 creator A5089960786 @default.
• W2325156925 date "2010-09-21" @default.
• W2325156925 modified "2023-09-30" @default.
• W2325156925 title "Relativistic Effects on Metal−Metal Bonding: Comparison of the Performance of ECP and Scalar DKH Description on the Picture of Metal−Metal Bonding in Re₂Cl₈²⁻" @default.
• W2325156925 cites W150681696 @default.
• W2325156925 cites W1964837435 @default.
• W2325156925 cites W1965143568 @default.
• W2325156925 cites W1966182479 @default.
• W2325156925 cites W1970148666 @default.
• W2325156925 cites W1972988289 @default.
• W2325156925 cites W1976215981 @default.
• W2325156925 cites W1977144874 @default.
• W2325156925 cites W1978054006 @default.
• W2325156925 cites W1979617332 @default.
• W2325156925 cites W1979945615 @default.
• W2325156925 cites W1980635631 @default.
• W2325156925 cites W1986751761 @default.
• W2325156925 cites W1991498915 @default.
• W2325156925 cites W1993229534 @default.
• W2325156925 cites W1994126571 @default.
• W2325156925 cites W1994325879 @default.
• W2325156925 cites W1995747087 @default.
• W2325156925 cites W1998823892 @default.
• W2325156925 cites W2000309481 @default.
• W2325156925 cites W2000872531 @default.
• W2325156925 cites W2003394371 @default.
• W2325156925 cites W2003683712 @default.
• W2325156925 cites W2004332802 @default.
• W2325156925 cites W2023549469 @default.
• W2325156925 cites W2025002140 @default.
• W2325156925 cites W2030976617 @default.
• W2325156925 cites W2036149464 @default.
• W2325156925 cites W2041180546 @default.
• W2325156925 cites W2042406144 @default.
• W2325156925 cites W2042944554 @default.
• W2325156925 cites W2043489840 @default.
• W2325156925 cites W2046246123 @default.
• W2325156925 cites W2050170853 @default.
• W2325156925 cites W2052043507 @default.
• W2325156925 cites W2052312990 @default.
• W2325156925 cites W2053179922 @default.
• W2325156925 cites W2055644887 @default.
• W2325156925 cites W2058221878 @default.
• W2325156925 cites W2062669038 @default.
• W2325156925 cites W2066949797 @default.
• W2325156925 cites W2076925482 @default.
• W2325156925 cites W2077251376 @default.
• W2325156925 cites W2081504104 @default.
• W2325156925 cites W2086160352 @default.
• W2325156925 cites W2086581442 @default.
• W2325156925 cites W2090672136 @default.
• W2325156925 cites W2092665739 @default.
• W2325156925 cites W2100078868 @default.
• W2325156925 cites W2121057595 @default.
• W2325156925 cites W2121963036 @default.
• W2325156925 cites W2135261637 @default.
• W2325156925 cites W2164024414 @default.
• W2325156925 cites W2169082656 @default.
• W2325156925 cites W2176535054 @default.
• W2325156925 cites W2230728100 @default.
• W2325156925 cites W233343036 @default.
• W2325156925 cites W2465075153 @default.
• W2325156925 cites W2480044893 @default.
• W2325156925 cites W2953001280 @default.
• W2325156925 cites W3105152026 @default.
• W2325156925 cites W4240035468 @default.
• W2325156925 doi "https://doi.org/10.1021/ct100338v" @default.
• W2325156925 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26616773" @default.
• W2325156925 hasPublicationYear "2010" @default.
• W2325156925 type Work @default.
• W2325156925 sameAs 2325156925 @default.
• W2325156925 citedByCount "27" @default.
• W2325156925 countsByYear W23251569252012 @default.
• W2325156925 countsByYear W23251569252013 @default.
• W2325156925 countsByYear W23251569252014 @default.
• W2325156925 countsByYear W23251569252015 @default.
• W2325156925 countsByYear W23251569252016 @default.
• W2325156925 countsByYear W23251569252017 @default.
• W2325156925 countsByYear W23251569252018 @default.
• W2325156925 countsByYear W23251569252019 @default.
• W2325156925 countsByYear W23251569252020 @default.
• W2325156925 countsByYear W23251569252021 @default.
• W2325156925 countsByYear W23251569252023 @default.
• W2325156925 crossrefType "journal-article" @default.
• W2325156925 hasAuthorship W2325156925A5015959731 @default.
• W2325156925 hasAuthorship W2325156925A5067260222 @default.
• W2325156925 hasAuthorship W2325156925A5089960786 @default.
• W2325156925 hasConcept C121332964 @default.
• W2325156925 hasConcept C12426560 @default.
• W2325156925 hasConcept C126255220 @default.
• W2325156925 hasConcept C130787639 @default.
• W2325156925 hasConcept C147597530 @default.
• W2325156925 hasConcept C185592680 @default.
• W2325156925 hasConcept C191897082 @default.

• next