FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2040946725> ?p ?o ?g. }

• W2040946725 endingPage "450" @default.
• W2040946725 startingPage "426" @default.
• W2040946725 abstract "The chemisorption of carbonate (CO3) and ethylene epoxide (C2H4O) on silver has been examined employing semi-empirical quantum-chemical calculations (INDO/S) and clusters of limited size (Ag18). The results indicate that ethylene epoxide is an electron donor upon adsorption on Ag surfaces, with no contribution of the empty orbitais of the free molecule to the surface-adsorbate bond. Most of the charge transfer from ethylene epoxide toward the surface is from the occupied frontier orbitals: 2b1 and 6a1. The CO3 group appears as a net electron acceptor (π-donor, σ-acceptor) when adsorbed on Ag(110). The influence of chemisorption effects upon the CO, CC and CH bonds of ethylene epoxide, and the CO bonds of carbonate are discussed. The bond order indices indicate that from the viewpoint of the substrate the Ag(5s, 5p) orbitals are primarily responsible for the chemisorption of ethylene epoxide and carbonate on silver surfaces. For each adsorbed molecule, charge transfers and dipole moments important to the change in work function are presented. Based on these INDO/S results, the UPS spectra of ethylene epoxide and carbonate on Ag(110) and the NEXAFS spectrum of carbonate on Ag(110) are discussed and compared with experimental results." @default.
• W2040946725 created "2016-06-24" @default.
• W2040946725 creator A5043532223 @default.
• W2040946725 creator A5088986896 @default.
• W2040946725 date "1988-12-01" @default.
• W2040946725 modified "2023-09-26" @default.
• W2040946725 title "The chemisorption of ethylene epoxide and carbonate on silver: A quantum-chemical study" @default.
• W2040946725 cites W1598764905 @default.
• W2040946725 cites W1609131480 @default.
• W2040946725 cites W1624531027 @default.
• W2040946725 cites W1964068513 @default.
• W2040946725 cites W1965603563 @default.
• W2040946725 cites W1968392598 @default.
• W2040946725 cites W1968532525 @default.
• W2040946725 cites W1969178944 @default.
• W2040946725 cites W1972174593 @default.
• W2040946725 cites W1975979982 @default.
• W2040946725 cites W1976641914 @default.
• W2040946725 cites W1977160384 @default.
• W2040946725 cites W1977577651 @default.
• W2040946725 cites W1978094965 @default.
• W2040946725 cites W1983542881 @default.
• W2040946725 cites W1985033717 @default.
• W2040946725 cites W1985615242 @default.
• W2040946725 cites W1986250021 @default.
• W2040946725 cites W1987830795 @default.
• W2040946725 cites W1987906348 @default.
• W2040946725 cites W1988210064 @default.
• W2040946725 cites W1993186885 @default.
• W2040946725 cites W1994007987 @default.
• W2040946725 cites W1996786961 @default.
• W2040946725 cites W1999543606 @default.
• W2040946725 cites W2000674670 @default.
• W2040946725 cites W2005471303 @default.
• W2040946725 cites W2007954379 @default.
• W2040946725 cites W2011119048 @default.
• W2040946725 cites W2012904461 @default.
• W2040946725 cites W2017528482 @default.
• W2040946725 cites W2024398632 @default.
• W2040946725 cites W2026014570 @default.
• W2040946725 cites W2031200077 @default.
• W2040946725 cites W2032402421 @default.
• W2040946725 cites W2037711616 @default.
• W2040946725 cites W2039849606 @default.
• W2040946725 cites W2042944554 @default.
• W2040946725 cites W2043695984 @default.
• W2040946725 cites W2046406469 @default.
• W2040946725 cites W2046851948 @default.
• W2040946725 cites W2049363802 @default.
• W2040946725 cites W2065448408 @default.
• W2040946725 cites W2066657180 @default.
• W2040946725 cites W2070043690 @default.
• W2040946725 cites W2071051146 @default.
• W2040946725 cites W2078016886 @default.
• W2040946725 cites W2083693513 @default.
• W2040946725 cites W2088653134 @default.
• W2040946725 cites W2089243953 @default.
• W2040946725 cites W2090657580 @default.
• W2040946725 cites W2121417415 @default.
• W2040946725 cites W215294686 @default.
• W2040946725 cites W2167007328 @default.
• W2040946725 cites W2196727763 @default.
• W2040946725 cites W2315540482 @default.
• W2040946725 cites W2319462788 @default.
• W2040946725 cites W2509587011 @default.
• W2040946725 cites W2757912256 @default.
• W2040946725 cites W4211069880 @default.
• W2040946725 cites W4254997915 @default.
• W2040946725 doi "https://doi.org/10.1016/0039-6028(88)90145-8" @default.
• W2040946725 hasPublicationYear "1988" @default.
• W2040946725 type Work @default.
• W2040946725 sameAs 2040946725 @default.
• W2040946725 citedByCount "35" @default.
• W2040946725 countsByYear W20409467252019 @default.
• W2040946725 crossrefType "journal-article" @default.
• W2040946725 hasAuthorship W2040946725A5043532223 @default.
• W2040946725 hasAuthorship W2040946725A5088986896 @default.
• W2040946725 hasConcept C147789679 @default.
• W2040946725 hasConcept C150394285 @default.
• W2040946725 hasConcept C161790260 @default.
• W2040946725 hasConcept C17525397 @default.
• W2040946725 hasConcept C178790620 @default.
• W2040946725 hasConcept C179104552 @default.
• W2040946725 hasConcept C185592680 @default.
• W2040946725 hasConcept C2775991599 @default.
• W2040946725 hasConcept C2776920199 @default.
• W2040946725 hasConcept C2778597550 @default.
• W2040946725 hasConcept C33790079 @default.
• W2040946725 hasConcept C68381374 @default.
• W2040946725 hasConcept C68801617 @default.
• W2040946725 hasConcept C75473681 @default.
• W2040946725 hasConceptScore W2040946725C147789679 @default.
• W2040946725 hasConceptScore W2040946725C150394285 @default.
• W2040946725 hasConceptScore W2040946725C161790260 @default.
• W2040946725 hasConceptScore W2040946725C17525397 @default.
• W2040946725 hasConceptScore W2040946725C178790620 @default.
• W2040946725 hasConceptScore W2040946725C179104552 @default.
• W2040946725 hasConceptScore W2040946725C185592680 @default.

• next