Matches in SemOpenAlex for { <https://semopenalex.org/work/W217725929> ?p ?o ?g. }
Showing items 1 to 69 of
69
with 100 items per page.
- W217725929 abstract "Abstract : MOPAC is a general-purpose, semi-empirical molecular orbital program for the study of chemical reactions involving molecules, ions, and linear polymers. It implements the semi-empirical Hamiltonians MNDO, AMI, and MINDO/3 and combines the calculations of vibrational spectra, thermodynamic quantities, isotopic substitution effects, and force constants in a fully integrated program. This manuscript is designed to be used by participants in a 2-day workshop on the MOPAC computational chemistry program. It is aimed at beginning users, assuming some fundamental knowledge of quantum mechanics, but not requiring familiarity with the higher mathematics involved in molecular orbital calculations." @default.
- W217725929 created "2016-06-24" @default.
- W217725929 creator A5009476018 @default.
- W217725929 creator A5013239073 @default.
- W217725929 creator A5082531378 @default.
- W217725929 date "1988-02-01" @default.
- W217725929 modified "2023-09-24" @default.
- W217725929 title "MOPAC Workshop Manual." @default.
- W217725929 hasPublicationYear "1988" @default.
- W217725929 type Work @default.
- W217725929 sameAs 217725929 @default.
- W217725929 citedByCount "0" @default.
- W217725929 crossrefType "journal-article" @default.
- W217725929 hasAuthorship W217725929A5009476018 @default.
- W217725929 hasAuthorship W217725929A5013239073 @default.
- W217725929 hasAuthorship W217725929A5082531378 @default.
- W217725929 hasConcept C139358910 @default.
- W217725929 hasConcept C147597530 @default.
- W217725929 hasConcept C147789679 @default.
- W217725929 hasConcept C178790620 @default.
- W217725929 hasConcept C185592680 @default.
- W217725929 hasConcept C22994065 @default.
- W217725929 hasConcept C2778153843 @default.
- W217725929 hasConcept C2780649890 @default.
- W217725929 hasConcept C2991951333 @default.
- W217725929 hasConcept C2992321928 @default.
- W217725929 hasConcept C32909587 @default.
- W217725929 hasConcept C66594872 @default.
- W217725929 hasConcept C93275456 @default.
- W217725929 hasConceptScore W217725929C139358910 @default.
- W217725929 hasConceptScore W217725929C147597530 @default.
- W217725929 hasConceptScore W217725929C147789679 @default.
- W217725929 hasConceptScore W217725929C178790620 @default.
- W217725929 hasConceptScore W217725929C185592680 @default.
- W217725929 hasConceptScore W217725929C22994065 @default.
- W217725929 hasConceptScore W217725929C2778153843 @default.
- W217725929 hasConceptScore W217725929C2780649890 @default.
- W217725929 hasConceptScore W217725929C2991951333 @default.
- W217725929 hasConceptScore W217725929C2992321928 @default.
- W217725929 hasConceptScore W217725929C32909587 @default.
- W217725929 hasConceptScore W217725929C66594872 @default.
- W217725929 hasConceptScore W217725929C93275456 @default.
- W217725929 hasLocation W2177259291 @default.
- W217725929 hasOpenAccess W217725929 @default.
- W217725929 hasPrimaryLocation W2177259291 @default.
- W217725929 hasRelatedWork W1266197659 @default.
- W217725929 hasRelatedWork W1490497765 @default.
- W217725929 hasRelatedWork W1974911560 @default.
- W217725929 hasRelatedWork W1976098939 @default.
- W217725929 hasRelatedWork W1989336792 @default.
- W217725929 hasRelatedWork W2001785530 @default.
- W217725929 hasRelatedWork W2002506927 @default.
- W217725929 hasRelatedWork W2028859738 @default.
- W217725929 hasRelatedWork W2070337119 @default.
- W217725929 hasRelatedWork W2146131909 @default.
- W217725929 hasRelatedWork W2593652667 @default.
- W217725929 hasRelatedWork W2611198286 @default.
- W217725929 hasRelatedWork W2804974287 @default.
- W217725929 hasRelatedWork W2912631891 @default.
- W217725929 hasRelatedWork W2953262046 @default.
- W217725929 hasRelatedWork W3080823769 @default.
- W217725929 hasRelatedWork W3098515411 @default.
- W217725929 hasRelatedWork W578807292 @default.
- W217725929 hasRelatedWork W602182483 @default.
- W217725929 hasRelatedWork W169652927 @default.
- W217725929 isParatext "false" @default.
- W217725929 isRetracted "false" @default.
- W217725929 magId "217725929" @default.
- W217725929 workType "article" @default.