Matches in SemOpenAlex for { <https://semopenalex.org/work/W2072482777> ?p ?o ?g. }
Showing items 1 to 49 of
49
with 100 items per page.
- W2072482777 endingPage "175" @default.
- W2072482777 startingPage "171" @default.
- W2072482777 abstract "We report a didactic experience in teaching Pearson's theory (HSAB) to graduate students in organic chemistry. This approach was based on teaching students how to use computer programs to calculate frontier orbitals (HOMO-LUMO). The suggested level of calculation was a semi-empiric PM3, proving to be efficient for obtaining robust and fast numerical results that can be performed easily in the classroom. We described a practical computational exercise and asked students to compare these numerical data with qualitative analysis using valence bond theory. A comprehensive solution of this exercise is presented, aiming to support teachers in their lessons." @default.
- W2072482777 created "2016-06-24" @default.
- W2072482777 creator A5086810485 @default.
- W2072482777 date "2014-01-01" @default.
- W2072482777 modified "2023-10-14" @default.
- W2072482777 title "A teoria de pearson para a disciplina de química orgânica: um exercício prático e teórico aplicado em sala de aula" @default.
- W2072482777 cites W1548551133 @default.
- W2072482777 cites W2026106480 @default.
- W2072482777 cites W641005000 @default.
- W2072482777 cites W658223979 @default.
- W2072482777 doi "https://doi.org/10.1590/s0100-40422014000100029" @default.
- W2072482777 hasPublicationYear "2014" @default.
- W2072482777 type Work @default.
- W2072482777 sameAs 2072482777 @default.
- W2072482777 citedByCount "6" @default.
- W2072482777 countsByYear W20724827772014 @default.
- W2072482777 countsByYear W20724827772017 @default.
- W2072482777 countsByYear W20724827772020 @default.
- W2072482777 countsByYear W20724827772021 @default.
- W2072482777 countsByYear W20724827772023 @default.
- W2072482777 crossrefType "journal-article" @default.
- W2072482777 hasAuthorship W2072482777A5086810485 @default.
- W2072482777 hasBestOaLocation W20724827771 @default.
- W2072482777 hasConcept C138885662 @default.
- W2072482777 hasConcept C15708023 @default.
- W2072482777 hasConceptScore W2072482777C138885662 @default.
- W2072482777 hasConceptScore W2072482777C15708023 @default.
- W2072482777 hasIssue "1" @default.
- W2072482777 hasLocation W20724827771 @default.
- W2072482777 hasLocation W20724827772 @default.
- W2072482777 hasOpenAccess W2072482777 @default.
- W2072482777 hasPrimaryLocation W20724827771 @default.
- W2072482777 hasRelatedWork W2603296253 @default.
- W2072482777 hasRelatedWork W2609344916 @default.
- W2072482777 hasRelatedWork W2748952813 @default.
- W2072482777 hasRelatedWork W2780307509 @default.
- W2072482777 hasRelatedWork W2899084033 @default.
- W2072482777 hasRelatedWork W4210390885 @default.
- W2072482777 hasRelatedWork W59019880 @default.
- W2072482777 hasRelatedWork W93312527 @default.
- W2072482777 hasRelatedWork W2308060692 @default.
- W2072482777 hasRelatedWork W2478882070 @default.
- W2072482777 hasVolume "37" @default.
- W2072482777 isParatext "false" @default.
- W2072482777 isRetracted "false" @default.
- W2072482777 magId "2072482777" @default.
- W2072482777 workType "article" @default.