FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2011637008> ?p ?o ?g. }

• W2011637008 endingPage "255" @default.
• W2011637008 startingPage "247" @default.
• W2011637008 abstract "The complete vibrational assignment and analysis of the fundamental modes of pantoprazole (PPZ) was carried out using the experimental FT-IR, FT-Raman and UV–Vis data and quantum chemical studies. The observed vibrational data were compared with the wavenumbers derived theoretically for the optimized geometry of the compound from the DFT–B3LYP gradient calculations employing 6-31G (d, p) basis set. Thermodynamic properties like entropy, heat capacity and enthalpy have been calculated for the molecule. HOMO–LUMO energy gap has been calculated. The intramolecular contacts have been interpreted using natural bond orbital (NBO) and natural localized molecular orbital (NLMO) analysis. Important non-linear properties such as electric dipole moment and first hyperpolarizability of PPZ have been computed using B3LYP quantum chemical calculation. Finally, the Mulliken population analysis on atomic charges of the title compound has been calculated." @default.
• W2011637008 created "2016-06-24" @default.
• W2011637008 creator A5038792108 @default.
• W2011637008 creator A5070478895 @default.
• W2011637008 creator A5078041005 @default.
• W2011637008 creator A5091283159 @default.
• W2011637008 date "2015-02-01" @default.
• W2011637008 modified "2023-10-11" @default.
• W2011637008 title "Experimental, quantum chemical and NBO/NLMO investigations of pantoprazole" @default.
• W2011637008 cites W1656774416 @default.
• W2011637008 cites W1966503473 @default.
• W2011637008 cites W1972391213 @default.
• W2011637008 cites W1983528703 @default.
• W2011637008 cites W1986476662 @default.
• W2011637008 cites W1987195250 @default.
• W2011637008 cites W2001043131 @default.
• W2011637008 cites W2001146208 @default.
• W2011637008 cites W2008708918 @default.
• W2011637008 cites W2008942129 @default.
• W2011637008 cites W2028781077 @default.
• W2011637008 cites W2034839325 @default.
• W2011637008 cites W2036741012 @default.
• W2011637008 cites W2038767330 @default.
• W2011637008 cites W2044202126 @default.
• W2011637008 cites W2046001773 @default.
• W2011637008 cites W2051576706 @default.
• W2011637008 cites W2057292050 @default.
• W2011637008 cites W2061535993 @default.
• W2011637008 cites W2065450385 @default.
• W2011637008 cites W2069465214 @default.
• W2011637008 cites W2069610895 @default.
• W2011637008 cites W2082049249 @default.
• W2011637008 cites W2082886128 @default.
• W2011637008 cites W2083373711 @default.
• W2011637008 cites W2090031519 @default.
• W2011637008 cites W2098979091 @default.
• W2011637008 cites W2123995943 @default.
• W2011637008 cites W2158267391 @default.
• W2011637008 cites W2160805895 @default.
• W2011637008 cites W2396119049 @default.
• W2011637008 cites W4231649355 @default.
• W2011637008 cites W4235908140 @default.
• W2011637008 doi "https://doi.org/10.1016/j.saa.2014.09.029" @default.
• W2011637008 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25315871" @default.
• W2011637008 hasPublicationYear "2015" @default.
• W2011637008 type Work @default.
• W2011637008 sameAs 2011637008 @default.
• W2011637008 citedByCount "5" @default.
• W2011637008 countsByYear W20116370082020 @default.
• W2011637008 countsByYear W20116370082022 @default.
• W2011637008 countsByYear W20116370082023 @default.
• W2011637008 crossrefType "journal-article" @default.
• W2011637008 hasAuthorship W2011637008A5038792108 @default.
• W2011637008 hasAuthorship W2011637008A5070478895 @default.
• W2011637008 hasAuthorship W2011637008A5078041005 @default.
• W2011637008 hasAuthorship W2011637008A5091283159 @default.
• W2011637008 hasConcept C121332964 @default.
• W2011637008 hasConcept C130188946 @default.
• W2011637008 hasConcept C139287275 @default.
• W2011637008 hasConcept C139358910 @default.
• W2011637008 hasConcept C14158195 @default.
• W2011637008 hasConcept C147597530 @default.
• W2011637008 hasConcept C152365726 @default.
• W2011637008 hasConcept C173523689 @default.
• W2011637008 hasConcept C178790620 @default.
• W2011637008 hasConcept C185592680 @default.
• W2011637008 hasConcept C2780694488 @default.
• W2011637008 hasConcept C2991951333 @default.
• W2011637008 hasConcept C3288061 @default.
• W2011637008 hasConcept C32909587 @default.
• W2011637008 hasConcept C41999313 @default.
• W2011637008 hasConcept C65956243 @default.
• W2011637008 hasConcept C7214806 @default.
• W2011637008 hasConcept C75079739 @default.
• W2011637008 hasConcept C97355855 @default.
• W2011637008 hasConceptScore W2011637008C121332964 @default.
• W2011637008 hasConceptScore W2011637008C130188946 @default.
• W2011637008 hasConceptScore W2011637008C139287275 @default.
• W2011637008 hasConceptScore W2011637008C139358910 @default.
• W2011637008 hasConceptScore W2011637008C14158195 @default.
• W2011637008 hasConceptScore W2011637008C147597530 @default.
• W2011637008 hasConceptScore W2011637008C152365726 @default.
• W2011637008 hasConceptScore W2011637008C173523689 @default.
• W2011637008 hasConceptScore W2011637008C178790620 @default.
• W2011637008 hasConceptScore W2011637008C185592680 @default.
• W2011637008 hasConceptScore W2011637008C2780694488 @default.
• W2011637008 hasConceptScore W2011637008C2991951333 @default.
• W2011637008 hasConceptScore W2011637008C3288061 @default.
• W2011637008 hasConceptScore W2011637008C32909587 @default.
• W2011637008 hasConceptScore W2011637008C41999313 @default.
• W2011637008 hasConceptScore W2011637008C65956243 @default.
• W2011637008 hasConceptScore W2011637008C7214806 @default.
• W2011637008 hasConceptScore W2011637008C75079739 @default.
• W2011637008 hasConceptScore W2011637008C97355855 @default.
• W2011637008 hasLocation W20116370081 @default.
• W2011637008 hasLocation W20116370082 @default.
• W2011637008 hasOpenAccess W2011637008 @default.
• W2011637008 hasPrimaryLocation W20116370081 @default.

• next