Matches in SemOpenAlex for { <https://semopenalex.org/work/W4313646880> ?p ?o ?g. }
- W4313646880 endingPage "573" @default.
- W4313646880 startingPage "573" @default.
- W4313646880 abstract "Density functional theory (DFT) calculations allow us to reproduce the SERS (surface-enhanced Raman scattering) spectra of molecules adsorbed on nanostructured metal surfaces and extract the most information this spectroscopy is potentially able to provide. The latter point mainly concerns the anchoring mechanism and the bond strength between molecule and metal as well as the structural and electronic modifications of the adsorbed molecule. These findings are of fundamental importance for the application of this spectroscopic technique. This review presents and discusses some SERS-DFT studies carried out in Italy as a collaboration between the universities of Modena and Reggio-Emilia and of Florence, giving an overview of the information that we can extract with a combination of experimental SERS spectra and DFT modeling. In addition, a selection of the most recent studies and advancements on the DFT approach to SERS spectroscopy is reported with commentary." @default.
- W4313646880 created "2023-01-07" @default.
- W4313646880 creator A5033757111 @default.
- W4313646880 creator A5047101121 @default.
- W4313646880 creator A5049424504 @default.
- W4313646880 creator A5081703414 @default.
- W4313646880 date "2023-01-06" @default.
- W4313646880 modified "2023-09-26" @default.
- W4313646880 title "Can DFT Calculations Provide Useful Information for SERS Applications?" @default.
- W4313646880 cites W1533177992 @default.
- W4313646880 cites W1966182479 @default.
- W4313646880 cites W1969077403 @default.
- W4313646880 cites W1970674409 @default.
- W4313646880 cites W1984326321 @default.
- W4313646880 cites W1987076186 @default.
- W4313646880 cites W1998100685 @default.
- W4313646880 cites W2005173758 @default.
- W4313646880 cites W2014650167 @default.
- W4313646880 cites W2015422744 @default.
- W4313646880 cites W2023271753 @default.
- W4313646880 cites W2044490585 @default.
- W4313646880 cites W2066739729 @default.
- W4313646880 cites W2068617439 @default.
- W4313646880 cites W2074782951 @default.
- W4313646880 cites W2090018465 @default.
- W4313646880 cites W2091923932 @default.
- W4313646880 cites W2099546329 @default.
- W4313646880 cites W2113529844 @default.
- W4313646880 cites W2143981217 @default.
- W4313646880 cites W2265096972 @default.
- W4313646880 cites W2318828788 @default.
- W4313646880 cites W2750670265 @default.
- W4313646880 cites W2801625659 @default.
- W4313646880 cites W2885242101 @default.
- W4313646880 cites W2896583516 @default.
- W4313646880 cites W2921669901 @default.
- W4313646880 cites W2922182888 @default.
- W4313646880 cites W2950765796 @default.
- W4313646880 cites W2954260024 @default.
- W4313646880 cites W2971763914 @default.
- W4313646880 cites W2979387836 @default.
- W4313646880 cites W2983771301 @default.
- W4313646880 cites W3047177562 @default.
- W4313646880 cites W3080002502 @default.
- W4313646880 cites W3080752812 @default.
- W4313646880 cites W3083557448 @default.
- W4313646880 cites W3088070797 @default.
- W4313646880 cites W3110717528 @default.
- W4313646880 cites W3111762867 @default.
- W4313646880 cites W3127384436 @default.
- W4313646880 cites W3128365335 @default.
- W4313646880 cites W3136096347 @default.
- W4313646880 cites W3151425770 @default.
- W4313646880 cites W3159971953 @default.
- W4313646880 cites W3161790238 @default.
- W4313646880 cites W3163727679 @default.
- W4313646880 cites W3171612183 @default.
- W4313646880 cites W3181464726 @default.
- W4313646880 cites W3198914630 @default.
- W4313646880 cites W3199165030 @default.
- W4313646880 cites W3215262495 @default.
- W4313646880 cites W4206144795 @default.
- W4313646880 cites W4220659755 @default.
- W4313646880 cites W4220693121 @default.
- W4313646880 cites W4223929231 @default.
- W4313646880 cites W4241062113 @default.
- W4313646880 cites W4280640456 @default.
- W4313646880 cites W4281758031 @default.
- W4313646880 cites W4283221395 @default.
- W4313646880 cites W4291221975 @default.
- W4313646880 cites W4292702167 @default.
- W4313646880 cites W4296012280 @default.
- W4313646880 cites W4308040390 @default.
- W4313646880 doi "https://doi.org/10.3390/molecules28020573" @default.
- W4313646880 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36677634" @default.
- W4313646880 hasPublicationYear "2023" @default.
- W4313646880 type Work @default.
- W4313646880 citedByCount "0" @default.
- W4313646880 crossrefType "journal-article" @default.
- W4313646880 hasAuthorship W4313646880A5033757111 @default.
- W4313646880 hasAuthorship W4313646880A5047101121 @default.
- W4313646880 hasAuthorship W4313646880A5049424504 @default.
- W4313646880 hasAuthorship W4313646880A5081703414 @default.
- W4313646880 hasBestOaLocation W43136468801 @default.
- W4313646880 hasConcept C120665830 @default.
- W4313646880 hasConcept C121332964 @default.
- W4313646880 hasConcept C147597530 @default.
- W4313646880 hasConcept C147789679 @default.
- W4313646880 hasConcept C150394285 @default.
- W4313646880 hasConcept C152365726 @default.
- W4313646880 hasConcept C159467904 @default.
- W4313646880 hasConcept C169573571 @default.
- W4313646880 hasConcept C171250308 @default.
- W4313646880 hasConcept C178790620 @default.
- W4313646880 hasConcept C185592680 @default.
- W4313646880 hasConcept C191897082 @default.
- W4313646880 hasConcept C192562407 @default.
- W4313646880 hasConcept C32891209 @default.