Matches in SemOpenAlex for { <https://semopenalex.org/work/W2004331109> ?p ?o ?g. }
Showing items 1 to 89 of
89
with 100 items per page.
- W2004331109 abstract "Abstract Geometric optimization and gauge including atomic orbital (GIAO). 1H and 13C NMR chemical shift calculations with Hartree–Fock (HF) method and density functional method (B3LYP), using the 6‐31G(d) and 6‐31+G(d) basis sets, are proposed as a tool to be applied in the structural characterization of ethene‐1,1,2,2‐tetrayltetramethylene tetrathiocyanate, thus providing useful support in the interpretation of experimental NMR data. Parameters related to linear correlation plot of computed versus experimental 13C NMR chemical shifts in DMSO‐d6 are provided." @default.
- W2004331109 created "2016-06-24" @default.
- W2004331109 creator A5015737265 @default.
- W2004331109 creator A5020994746 @default.
- W2004331109 date "2008-04-01" @default.
- W2004331109 modified "2023-09-26" @default.
- W2004331109 title "GIAO Calculations of Chemical Shifts in Ethene‐1,1,2,2‐tetrayltetramethylene tetrathiocyanate" @default.
- W2004331109 cites W1966434804 @default.
- W2004331109 cites W1967485829 @default.
- W2004331109 cites W1970254670 @default.
- W2004331109 cites W1971309991 @default.
- W2004331109 cites W1986387449 @default.
- W2004331109 cites W1988982985 @default.
- W2004331109 cites W2006661735 @default.
- W2004331109 cites W2010222354 @default.
- W2004331109 cites W2035204141 @default.
- W2004331109 cites W2035881489 @default.
- W2004331109 cites W2043898882 @default.
- W2004331109 cites W2054164390 @default.
- W2004331109 cites W2058363175 @default.
- W2004331109 cites W2090910120 @default.
- W2004331109 cites W2101250114 @default.
- W2004331109 cites W2129319023 @default.
- W2004331109 cites W2156115804 @default.
- W2004331109 cites W2164318957 @default.
- W2004331109 cites W2950184091 @default.
- W2004331109 cites W2952577799 @default.
- W2004331109 cites W3088890277 @default.
- W2004331109 doi "https://doi.org/10.1080/00387010701799720" @default.
- W2004331109 hasPublicationYear "2008" @default.
- W2004331109 type Work @default.
- W2004331109 sameAs 2004331109 @default.
- W2004331109 citedByCount "0" @default.
- W2004331109 crossrefType "journal-article" @default.
- W2004331109 hasAuthorship W2004331109A5015737265 @default.
- W2004331109 hasAuthorship W2004331109A5020994746 @default.
- W2004331109 hasConcept C111429119 @default.
- W2004331109 hasConcept C121332964 @default.
- W2004331109 hasConcept C147120987 @default.
- W2004331109 hasConcept C147597530 @default.
- W2004331109 hasConcept C147789679 @default.
- W2004331109 hasConcept C163111631 @default.
- W2004331109 hasConcept C185592680 @default.
- W2004331109 hasConcept C189394030 @default.
- W2004331109 hasConcept C199360897 @default.
- W2004331109 hasConcept C41008148 @default.
- W2004331109 hasConcept C527412718 @default.
- W2004331109 hasConcept C62520636 @default.
- W2004331109 hasConcept C71240020 @default.
- W2004331109 hasConceptScore W2004331109C111429119 @default.
- W2004331109 hasConceptScore W2004331109C121332964 @default.
- W2004331109 hasConceptScore W2004331109C147120987 @default.
- W2004331109 hasConceptScore W2004331109C147597530 @default.
- W2004331109 hasConceptScore W2004331109C147789679 @default.
- W2004331109 hasConceptScore W2004331109C163111631 @default.
- W2004331109 hasConceptScore W2004331109C185592680 @default.
- W2004331109 hasConceptScore W2004331109C189394030 @default.
- W2004331109 hasConceptScore W2004331109C199360897 @default.
- W2004331109 hasConceptScore W2004331109C41008148 @default.
- W2004331109 hasConceptScore W2004331109C527412718 @default.
- W2004331109 hasConceptScore W2004331109C62520636 @default.
- W2004331109 hasConceptScore W2004331109C71240020 @default.
- W2004331109 hasLocation W20043311091 @default.
- W2004331109 hasOpenAccess W2004331109 @default.
- W2004331109 hasPrimaryLocation W20043311091 @default.
- W2004331109 hasRelatedWork W1560008761 @default.
- W2004331109 hasRelatedWork W1932807774 @default.
- W2004331109 hasRelatedWork W1970254670 @default.
- W2004331109 hasRelatedWork W1990452096 @default.
- W2004331109 hasRelatedWork W2002199288 @default.
- W2004331109 hasRelatedWork W2037130172 @default.
- W2004331109 hasRelatedWork W2054186646 @default.
- W2004331109 hasRelatedWork W2055054642 @default.
- W2004331109 hasRelatedWork W2055894931 @default.
- W2004331109 hasRelatedWork W2060153452 @default.
- W2004331109 hasRelatedWork W2079994514 @default.
- W2004331109 hasRelatedWork W2127286031 @default.
- W2004331109 hasRelatedWork W2142086072 @default.
- W2004331109 hasRelatedWork W2185332429 @default.
- W2004331109 hasRelatedWork W2187055583 @default.
- W2004331109 hasRelatedWork W2329925244 @default.
- W2004331109 hasRelatedWork W2519450574 @default.
- W2004331109 hasRelatedWork W2614282906 @default.
- W2004331109 hasRelatedWork W2891643062 @default.
- W2004331109 hasRelatedWork W3002364651 @default.
- W2004331109 isParatext "false" @default.
- W2004331109 isRetracted "false" @default.
- W2004331109 magId "2004331109" @default.
- W2004331109 workType "article" @default.