Matches in SemOpenAlex for { <https://semopenalex.org/work/W2022133411> ?p ?o ?g. }
Showing items 1 to 91 of
91
with 100 items per page.
- W2022133411 endingPage "668" @default.
- W2022133411 startingPage "659" @default.
- W2022133411 abstract "The earlier developed diatomics-in-molecules (DIM) model structure for ammonia is used to design a model potential energy surface describing the hydrogen abstraction from H(SINGLEBOND)NH2 in the A˜ state. The adequate model representation of the dissociation process serves to illustrate that even a DIM model of a large size with respect to both the dimensions of the DIM polyatomic basis set and diatomic mixing matrices is amenable to adjustment to target properties. The only proviso in the step of adjusting the DIM surfaces by effective manipulation of diatomic interaction matrices is that the DIM diatomic bases need to be orthogonal. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 62: 659–668, 1997" @default.
- W2022133411 created "2016-06-24" @default.
- W2022133411 creator A5054690390 @default.
- W2022133411 creator A5065374087 @default.
- W2022133411 creator A5065670738 @default.
- W2022133411 date "1997-01-01" @default.
- W2022133411 modified "2023-10-18" @default.
- W2022133411 title "On the fragmentation dynamics of NH3 ? NH2 + H. II. Diatomics-in-molecules potential energy surfaces" @default.
- W2022133411 cites W1639770482 @default.
- W2022133411 cites W1973837925 @default.
- W2022133411 cites W1998003134 @default.
- W2022133411 cites W2001783747 @default.
- W2022133411 cites W2006373142 @default.
- W2022133411 cites W2009139703 @default.
- W2022133411 cites W2010373238 @default.
- W2022133411 cites W2020077050 @default.
- W2022133411 cites W2024882546 @default.
- W2022133411 cites W2026941239 @default.
- W2022133411 cites W2047084464 @default.
- W2022133411 cites W2051452488 @default.
- W2022133411 cites W2065916852 @default.
- W2022133411 cites W2067057097 @default.
- W2022133411 cites W2077609269 @default.
- W2022133411 cites W2080985208 @default.
- W2022133411 cites W2084622417 @default.
- W2022133411 cites W2086058286 @default.
- W2022133411 cites W2094265391 @default.
- W2022133411 cites W2315250210 @default.
- W2022133411 cites W4239319974 @default.
- W2022133411 doi "https://doi.org/10.1002/(sici)1097-461x(1997)62:6<659::aid-qua9>3.0.co;2-v" @default.
- W2022133411 hasPublicationYear "1997" @default.
- W2022133411 type Work @default.
- W2022133411 sameAs 2022133411 @default.
- W2022133411 citedByCount "5" @default.
- W2022133411 crossrefType "journal-article" @default.
- W2022133411 hasAuthorship W2022133411A5054690390 @default.
- W2022133411 hasAuthorship W2022133411A5065374087 @default.
- W2022133411 hasAuthorship W2022133411A5065670738 @default.
- W2022133411 hasConcept C102931765 @default.
- W2022133411 hasConcept C111806078 @default.
- W2022133411 hasConcept C111919701 @default.
- W2022133411 hasConcept C121332964 @default.
- W2022133411 hasConcept C125277925 @default.
- W2022133411 hasConcept C147597530 @default.
- W2022133411 hasConcept C147789679 @default.
- W2022133411 hasConcept C159467904 @default.
- W2022133411 hasConcept C178790620 @default.
- W2022133411 hasConcept C184779094 @default.
- W2022133411 hasConcept C185592680 @default.
- W2022133411 hasConcept C191015642 @default.
- W2022133411 hasConcept C32909587 @default.
- W2022133411 hasConcept C41008148 @default.
- W2022133411 hasConcept C66594872 @default.
- W2022133411 hasConcept C84551667 @default.
- W2022133411 hasConceptScore W2022133411C102931765 @default.
- W2022133411 hasConceptScore W2022133411C111806078 @default.
- W2022133411 hasConceptScore W2022133411C111919701 @default.
- W2022133411 hasConceptScore W2022133411C121332964 @default.
- W2022133411 hasConceptScore W2022133411C125277925 @default.
- W2022133411 hasConceptScore W2022133411C147597530 @default.
- W2022133411 hasConceptScore W2022133411C147789679 @default.
- W2022133411 hasConceptScore W2022133411C159467904 @default.
- W2022133411 hasConceptScore W2022133411C178790620 @default.
- W2022133411 hasConceptScore W2022133411C184779094 @default.
- W2022133411 hasConceptScore W2022133411C185592680 @default.
- W2022133411 hasConceptScore W2022133411C191015642 @default.
- W2022133411 hasConceptScore W2022133411C32909587 @default.
- W2022133411 hasConceptScore W2022133411C41008148 @default.
- W2022133411 hasConceptScore W2022133411C66594872 @default.
- W2022133411 hasConceptScore W2022133411C84551667 @default.
- W2022133411 hasIssue "6" @default.
- W2022133411 hasLocation W20221334111 @default.
- W2022133411 hasOpenAccess W2022133411 @default.
- W2022133411 hasPrimaryLocation W20221334111 @default.
- W2022133411 hasRelatedWork W1866782848 @default.
- W2022133411 hasRelatedWork W1993214389 @default.
- W2022133411 hasRelatedWork W1998971618 @default.
- W2022133411 hasRelatedWork W2018425809 @default.
- W2022133411 hasRelatedWork W2067393251 @default.
- W2022133411 hasRelatedWork W2073439530 @default.
- W2022133411 hasRelatedWork W2079527434 @default.
- W2022133411 hasRelatedWork W2093241731 @default.
- W2022133411 hasRelatedWork W2167343852 @default.
- W2022133411 hasRelatedWork W4248798426 @default.
- W2022133411 hasVolume "62" @default.
- W2022133411 isParatext "false" @default.
- W2022133411 isRetracted "false" @default.
- W2022133411 magId "2022133411" @default.
- W2022133411 workType "article" @default.