Matches in SemOpenAlex for { <https://semopenalex.org/work/W2077478894> ?p ?o ?g. }
Showing items 1 to 95 of
95
with 100 items per page.
- W2077478894 endingPage "18" @default.
- W2077478894 startingPage "9" @default.
- W2077478894 abstract "Abstract The hydrogen bonding of 1:1 complexes formed between formamide and serine molecules has been completely investigated in the present study using density functional theory (DFT) method at varied basis set levels from 6-31G to 6-311++G(d,p). Fifteen reasonable geometries on the potential energy hypersurface of formamide and serine system are considered with the global minimum, 13 of them are cyclic double-hydrogen bonded structures and the other two are one-hydrogen bonded structures. The optimized geometric parameters and interaction energies for various isomers at different levels are estimated. The infrared spectrum frequencies, IR intensities and the vibrational frequency shifts are reported." @default.
- W2077478894 created "2016-06-24" @default.
- W2077478894 creator A5003759585 @default.
- W2077478894 creator A5021943406 @default.
- W2077478894 creator A5023529405 @default.
- W2077478894 creator A5037748574 @default.
- W2077478894 creator A5087794273 @default.
- W2077478894 date "2005-12-01" @default.
- W2077478894 modified "2023-10-18" @default.
- W2077478894 title "Study of the hydrogen bonding interaction of 1:1 complexes of serine with formamide using density functional theory" @default.
- W2077478894 cites W1966201870 @default.
- W2077478894 cites W1968873123 @default.
- W2077478894 cites W1969916657 @default.
- W2077478894 cites W1973226380 @default.
- W2077478894 cites W1977756983 @default.
- W2077478894 cites W1995506214 @default.
- W2077478894 cites W1996131181 @default.
- W2077478894 cites W1997337539 @default.
- W2077478894 cites W2012055371 @default.
- W2077478894 cites W2014057163 @default.
- W2077478894 cites W2014936180 @default.
- W2077478894 cites W2018813469 @default.
- W2077478894 cites W2019367082 @default.
- W2077478894 cites W2028413243 @default.
- W2077478894 cites W2033178685 @default.
- W2077478894 cites W2036271134 @default.
- W2077478894 cites W2038572814 @default.
- W2077478894 cites W2043391117 @default.
- W2077478894 cites W2046156947 @default.
- W2077478894 cites W2051323767 @default.
- W2077478894 cites W2052268600 @default.
- W2077478894 cites W2055021762 @default.
- W2077478894 cites W2057706924 @default.
- W2077478894 cites W2071092630 @default.
- W2077478894 cites W2083241832 @default.
- W2077478894 cites W2084180644 @default.
- W2077478894 cites W2085254906 @default.
- W2077478894 cites W2087514259 @default.
- W2077478894 cites W2094414059 @default.
- W2077478894 cites W2148941593 @default.
- W2077478894 cites W2165987614 @default.
- W2077478894 cites W4232058692 @default.
- W2077478894 doi "https://doi.org/10.1016/j.theochem.2005.05.019" @default.
- W2077478894 hasPublicationYear "2005" @default.
- W2077478894 type Work @default.
- W2077478894 sameAs 2077478894 @default.
- W2077478894 citedByCount "11" @default.
- W2077478894 countsByYear W20774788942018 @default.
- W2077478894 crossrefType "journal-article" @default.
- W2077478894 hasAuthorship W2077478894A5003759585 @default.
- W2077478894 hasAuthorship W2077478894A5021943406 @default.
- W2077478894 hasAuthorship W2077478894A5023529405 @default.
- W2077478894 hasAuthorship W2077478894A5037748574 @default.
- W2077478894 hasAuthorship W2077478894A5087794273 @default.
- W2077478894 hasConcept C112887158 @default.
- W2077478894 hasConcept C147597530 @default.
- W2077478894 hasConcept C152365726 @default.
- W2077478894 hasConcept C178790620 @default.
- W2077478894 hasConcept C181199279 @default.
- W2077478894 hasConcept C185592680 @default.
- W2077478894 hasConcept C2776414213 @default.
- W2077478894 hasConcept C2778270854 @default.
- W2077478894 hasConcept C32909587 @default.
- W2077478894 hasConcept C55493867 @default.
- W2077478894 hasConceptScore W2077478894C112887158 @default.
- W2077478894 hasConceptScore W2077478894C147597530 @default.
- W2077478894 hasConceptScore W2077478894C152365726 @default.
- W2077478894 hasConceptScore W2077478894C178790620 @default.
- W2077478894 hasConceptScore W2077478894C181199279 @default.
- W2077478894 hasConceptScore W2077478894C185592680 @default.
- W2077478894 hasConceptScore W2077478894C2776414213 @default.
- W2077478894 hasConceptScore W2077478894C2778270854 @default.
- W2077478894 hasConceptScore W2077478894C32909587 @default.
- W2077478894 hasConceptScore W2077478894C55493867 @default.
- W2077478894 hasIssue "1-3" @default.
- W2077478894 hasLocation W20774788941 @default.
- W2077478894 hasOpenAccess W2077478894 @default.
- W2077478894 hasPrimaryLocation W20774788941 @default.
- W2077478894 hasRelatedWork W1974052120 @default.
- W2077478894 hasRelatedWork W1998476608 @default.
- W2077478894 hasRelatedWork W2001358755 @default.
- W2077478894 hasRelatedWork W2088751185 @default.
- W2077478894 hasRelatedWork W2327630667 @default.
- W2077478894 hasRelatedWork W2341880960 @default.
- W2077478894 hasRelatedWork W2404070016 @default.
- W2077478894 hasRelatedWork W2606147773 @default.
- W2077478894 hasRelatedWork W2952323947 @default.
- W2077478894 hasRelatedWork W2952922589 @default.
- W2077478894 hasVolume "757" @default.
- W2077478894 isParatext "false" @default.
- W2077478894 isRetracted "false" @default.
- W2077478894 magId "2077478894" @default.
- W2077478894 workType "article" @default.