Matches in SemOpenAlex for { <https://semopenalex.org/work/W2002192661> ?p ?o ?g. }
Showing items 1 to 99 of
99
with 100 items per page.
- W2002192661 endingPage "295" @default.
- W2002192661 startingPage "291" @default.
- W2002192661 abstract "Matrix diagonalization, the key technique at the heart of modern computational chemistry for the numerical solution of the Schrödinger equation, can be easily introduced in the physical chemistry curriculum in a pedagogical context using simple Hückel molecular orbital theory for π bonding in molecules. We present details and results of computations, including both the quintessential examples of polycyclic aromatic hydrocarbons discussed in text books and an interesting extension to a large molecule, C60 (buckminsterfullerene), the first member of the fullerenes to be discovered and synthesized, using a simple Excel spreadsheet-based VBA “application” that we have developed." @default.
- W2002192661 created "2016-06-24" @default.
- W2002192661 creator A5039747243 @default.
- W2002192661 creator A5068915584 @default.
- W2002192661 date "2014-11-20" @default.
- W2002192661 modified "2023-09-26" @default.
- W2002192661 title "Introduction to Computational Chemistry: Teaching Hückel Molecular Orbital Theory Using an Excel Workbook for Matrix Diagonalization" @default.
- W2002192661 cites W1513200183 @default.
- W2002192661 cites W1967363943 @default.
- W2002192661 cites W1973123414 @default.
- W2002192661 cites W2027213122 @default.
- W2002192661 cites W2036694542 @default.
- W2002192661 cites W2037990759 @default.
- W2002192661 cites W2045741181 @default.
- W2002192661 cites W2065979633 @default.
- W2002192661 cites W2130241624 @default.
- W2002192661 cites W2170535169 @default.
- W2002192661 cites W4237557241 @default.
- W2002192661 cites W4298225400 @default.
- W2002192661 cites W4298438242 @default.
- W2002192661 cites W4312258136 @default.
- W2002192661 doi "https://doi.org/10.1021/ed500376q" @default.
- W2002192661 hasPublicationYear "2014" @default.
- W2002192661 type Work @default.
- W2002192661 sameAs 2002192661 @default.
- W2002192661 citedByCount "6" @default.
- W2002192661 countsByYear W20021926612017 @default.
- W2002192661 countsByYear W20021926612018 @default.
- W2002192661 countsByYear W20021926612020 @default.
- W2002192661 crossrefType "journal-article" @default.
- W2002192661 hasAuthorship W2002192661A5039747243 @default.
- W2002192661 hasAuthorship W2002192661A5068915584 @default.
- W2002192661 hasConcept C106487976 @default.
- W2002192661 hasConcept C111472728 @default.
- W2002192661 hasConcept C121955636 @default.
- W2002192661 hasConcept C136119220 @default.
- W2002192661 hasConcept C138885662 @default.
- W2002192661 hasConcept C139358910 @default.
- W2002192661 hasConcept C144133560 @default.
- W2002192661 hasConcept C147597530 @default.
- W2002192661 hasConcept C151730666 @default.
- W2002192661 hasConcept C178790620 @default.
- W2002192661 hasConcept C185592680 @default.
- W2002192661 hasConcept C202444582 @default.
- W2002192661 hasConcept C22994065 @default.
- W2002192661 hasConcept C2778202681 @default.
- W2002192661 hasConcept C2779343474 @default.
- W2002192661 hasConcept C2780586882 @default.
- W2002192661 hasConcept C32909587 @default.
- W2002192661 hasConcept C33923547 @default.
- W2002192661 hasConcept C41008148 @default.
- W2002192661 hasConcept C43617362 @default.
- W2002192661 hasConcept C68762167 @default.
- W2002192661 hasConcept C86803240 @default.
- W2002192661 hasConcept C93275456 @default.
- W2002192661 hasConceptScore W2002192661C106487976 @default.
- W2002192661 hasConceptScore W2002192661C111472728 @default.
- W2002192661 hasConceptScore W2002192661C121955636 @default.
- W2002192661 hasConceptScore W2002192661C136119220 @default.
- W2002192661 hasConceptScore W2002192661C138885662 @default.
- W2002192661 hasConceptScore W2002192661C139358910 @default.
- W2002192661 hasConceptScore W2002192661C144133560 @default.
- W2002192661 hasConceptScore W2002192661C147597530 @default.
- W2002192661 hasConceptScore W2002192661C151730666 @default.
- W2002192661 hasConceptScore W2002192661C178790620 @default.
- W2002192661 hasConceptScore W2002192661C185592680 @default.
- W2002192661 hasConceptScore W2002192661C202444582 @default.
- W2002192661 hasConceptScore W2002192661C22994065 @default.
- W2002192661 hasConceptScore W2002192661C2778202681 @default.
- W2002192661 hasConceptScore W2002192661C2779343474 @default.
- W2002192661 hasConceptScore W2002192661C2780586882 @default.
- W2002192661 hasConceptScore W2002192661C32909587 @default.
- W2002192661 hasConceptScore W2002192661C33923547 @default.
- W2002192661 hasConceptScore W2002192661C41008148 @default.
- W2002192661 hasConceptScore W2002192661C43617362 @default.
- W2002192661 hasConceptScore W2002192661C68762167 @default.
- W2002192661 hasConceptScore W2002192661C86803240 @default.
- W2002192661 hasConceptScore W2002192661C93275456 @default.
- W2002192661 hasIssue "2" @default.
- W2002192661 hasLocation W20021926611 @default.
- W2002192661 hasOpenAccess W2002192661 @default.
- W2002192661 hasPrimaryLocation W20021926611 @default.
- W2002192661 hasRelatedWork W2007380041 @default.
- W2002192661 hasRelatedWork W2071073691 @default.
- W2002192661 hasRelatedWork W2177849522 @default.
- W2002192661 hasRelatedWork W2349471675 @default.
- W2002192661 hasRelatedWork W2372549267 @default.
- W2002192661 hasRelatedWork W2625257493 @default.
- W2002192661 hasRelatedWork W2999798864 @default.
- W2002192661 hasRelatedWork W3017231631 @default.
- W2002192661 hasRelatedWork W3045648531 @default.
- W2002192661 hasRelatedWork W4236178666 @default.
- W2002192661 hasVolume "92" @default.
- W2002192661 isParatext "false" @default.
- W2002192661 isRetracted "false" @default.
- W2002192661 magId "2002192661" @default.
- W2002192661 workType "article" @default.