FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2952806785> ?p ?o ?g. }

• W2952806785 endingPage "37" @default.
• W2952806785 startingPage "26" @default.
• W2952806785 abstract "Growing the molecular mechanism of chemicals, thermochemical and biological interactions is considered as the ultimate goal of computational chemistry. Some thermodynamic parameters such as free energy, entropy, dipole moment, binding energy, nuclear energy, electronics energy, heat of formation, and QSAR (quantitative structure activity relationship) properties of molecules like charge density, surface area grid, volume, LogP, polarizability, refractivity, molecular mass, and reactivity properties of molecules like HOMO (the highest occupied molecular orbital ), LUMO (the lowest unoccupied molecular orbital), HUMO ( the highest unoccupied molecular orbital )-LUMO gap, ionization potential and electron affinity were determined using the HyperChem 8.0.10 program. The computed QSAR parameters have a significant role in the estimation of the biological activity and metabolism in the human body." @default.
• W2952806785 created "2019-06-27" @default.
• W2952806785 creator A5008355169 @default.
• W2952806785 creator A5020386693 @default.
• W2952806785 creator A5025742538 @default.
• W2952806785 date "2019-03-23" @default.
• W2952806785 modified "2023-10-14" @default.
• W2952806785 title "The theoretical investigation of HOMO, LUMO, thermophysical properties and QSAR study of some aromatic carboxylic acids using HyperChem programming" @default.
• W2952806785 cites W1572021636 @default.
• W2952806785 cites W1600463518 @default.
• W2952806785 cites W1969962484 @default.
• W2952806785 cites W1988771765 @default.
• W2952806785 cites W1992210899 @default.
• W2952806785 cites W1999964163 @default.
• W2952806785 cites W2012277281 @default.
• W2952806785 cites W2015394826 @default.
• W2952806785 cites W2029203414 @default.
• W2952806785 cites W2037015186 @default.
• W2952806785 cites W2044929560 @default.
• W2952806785 cites W2046488389 @default.
• W2952806785 cites W2052420213 @default.
• W2952806785 cites W2075137320 @default.
• W2952806785 cites W2080973364 @default.
• W2952806785 cites W2087016475 @default.
• W2952806785 cites W2093696361 @default.
• W2952806785 cites W2094872366 @default.
• W2952806785 cites W2098614082 @default.
• W2952806785 cites W2106536314 @default.
• W2952806785 cites W2119563361 @default.
• W2952806785 cites W2131416923 @default.
• W2952806785 cites W2138817605 @default.
• W2952806785 cites W2159887157 @default.
• W2952806785 cites W2225235469 @default.
• W2952806785 cites W2258835401 @default.
• W2952806785 cites W2769575005 @default.
• W2952806785 cites W2952401153 @default.
• W2952806785 cites W4241196006 @default.
• W2952806785 cites W4253654324 @default.
• W2952806785 cites W83226879 @default.
• W2952806785 doi "https://doi.org/10.32571/ijct.478179" @default.
• W2952806785 hasPublicationYear "2019" @default.
• W2952806785 type Work @default.
• W2952806785 sameAs 2952806785 @default.
• W2952806785 citedByCount "28" @default.
• W2952806785 countsByYear W29528067852019 @default.
• W2952806785 countsByYear W29528067852020 @default.
• W2952806785 countsByYear W29528067852021 @default.
• W2952806785 countsByYear W29528067852022 @default.
• W2952806785 countsByYear W29528067852023 @default.
• W2952806785 crossrefType "journal-article" @default.
• W2952806785 hasAuthorship W2952806785A5008355169 @default.
• W2952806785 hasAuthorship W2952806785A5020386693 @default.
• W2952806785 hasAuthorship W2952806785A5025742538 @default.
• W2952806785 hasBestOaLocation W29528067851 @default.
• W2952806785 hasConcept C139287275 @default.
• W2952806785 hasConcept C139358910 @default.
• W2952806785 hasConcept C14158195 @default.
• W2952806785 hasConcept C145148216 @default.
• W2952806785 hasConcept C147192597 @default.
• W2952806785 hasConcept C147597530 @default.
• W2952806785 hasConcept C147789679 @default.
• W2952806785 hasConcept C159467904 @default.
• W2952806785 hasConcept C164126121 @default.
• W2952806785 hasConcept C173523689 @default.
• W2952806785 hasConcept C178790620 @default.
• W2952806785 hasConcept C185592680 @default.
• W2952806785 hasConcept C198291218 @default.
• W2952806785 hasConcept C32909587 @default.
• W2952806785 hasConcept C71240020 @default.
• W2952806785 hasConceptScore W2952806785C139287275 @default.
• W2952806785 hasConceptScore W2952806785C139358910 @default.
• W2952806785 hasConceptScore W2952806785C14158195 @default.
• W2952806785 hasConceptScore W2952806785C145148216 @default.
• W2952806785 hasConceptScore W2952806785C147192597 @default.
• W2952806785 hasConceptScore W2952806785C147597530 @default.
• W2952806785 hasConceptScore W2952806785C147789679 @default.
• W2952806785 hasConceptScore W2952806785C159467904 @default.
• W2952806785 hasConceptScore W2952806785C164126121 @default.
• W2952806785 hasConceptScore W2952806785C173523689 @default.
• W2952806785 hasConceptScore W2952806785C178790620 @default.
• W2952806785 hasConceptScore W2952806785C185592680 @default.
• W2952806785 hasConceptScore W2952806785C198291218 @default.
• W2952806785 hasConceptScore W2952806785C32909587 @default.
• W2952806785 hasConceptScore W2952806785C71240020 @default.
• W2952806785 hasIssue "1" @default.
• W2952806785 hasLocation W29528067851 @default.
• W2952806785 hasLocation W29528067852 @default.
• W2952806785 hasOpenAccess W2952806785 @default.
• W2952806785 hasPrimaryLocation W29528067851 @default.
• W2952806785 hasRelatedWork W2013570577 @default.
• W2952806785 hasRelatedWork W2054574591 @default.
• W2952806785 hasRelatedWork W2164186008 @default.
• W2952806785 hasRelatedWork W2569185209 @default.
• W2952806785 hasRelatedWork W2946062564 @default.
• W2952806785 hasRelatedWork W3110944556 @default.
• W2952806785 hasRelatedWork W3178028420 @default.
• W2952806785 hasRelatedWork W3192117887 @default.
• W2952806785 hasRelatedWork W4214863894 @default.

• next