Matches in SemOpenAlex for { <https://semopenalex.org/work/W2024706020> ?p ?o ?g. }
- W2024706020 endingPage "642" @default.
- W2024706020 startingPage "636" @default.
- W2024706020 abstract "We present and test a reduced, piecewise Hermite algorithm to interpolate ab initio potential and gradient data for use in the code MULTIMODE, which does rovibrational calculations of polyatomic molecules. The procedure is tested for H2CS, for which we have an analytical six-dimensional potential energy surface. This surface is used to generate potential and gradient data in order to mimic the interface between MULTIMODE and electronic structure packages. Exact results are also obtained with this potential to provide benchmarks to test the accuracy of the new interpolation procedure." @default.
- W2024706020 created "2016-06-24" @default.
- W2024706020 creator A5061582214 @default.
- W2024706020 creator A5064654490 @default.
- W2024706020 creator A5065443029 @default.
- W2024706020 date "2001-07-01" @default.
- W2024706020 modified "2023-09-25" @default.
- W2024706020 title "On using low-order Hermite interpolation in `direct dynamics' calculations of vibrational energies using the code `MULTIMODE'" @default.
- W2024706020 cites W143440816 @default.
- W2024706020 cites W1486816649 @default.
- W2024706020 cites W1673508942 @default.
- W2024706020 cites W1969052657 @default.
- W2024706020 cites W1979771814 @default.
- W2024706020 cites W1983075444 @default.
- W2024706020 cites W2015325351 @default.
- W2024706020 cites W2023194386 @default.
- W2024706020 cites W2025520081 @default.
- W2024706020 cites W2044188337 @default.
- W2024706020 cites W2052898809 @default.
- W2024706020 cites W2064373481 @default.
- W2024706020 cites W2083980826 @default.
- W2024706020 doi "https://doi.org/10.1016/s0009-2614(01)00656-x" @default.
- W2024706020 hasPublicationYear "2001" @default.
- W2024706020 type Work @default.
- W2024706020 sameAs 2024706020 @default.
- W2024706020 citedByCount "31" @default.
- W2024706020 countsByYear W20247060202016 @default.
- W2024706020 countsByYear W20247060202017 @default.
- W2024706020 countsByYear W20247060202018 @default.
- W2024706020 countsByYear W20247060202019 @default.
- W2024706020 countsByYear W20247060202020 @default.
- W2024706020 countsByYear W20247060202023 @default.
- W2024706020 crossrefType "journal-article" @default.
- W2024706020 hasAuthorship W2024706020A5061582214 @default.
- W2024706020 hasAuthorship W2024706020A5064654490 @default.
- W2024706020 hasAuthorship W2024706020A5065443029 @default.
- W2024706020 hasConcept C101645829 @default.
- W2024706020 hasConcept C104114177 @default.
- W2024706020 hasConcept C113843644 @default.
- W2024706020 hasConcept C120665830 @default.
- W2024706020 hasConcept C121332964 @default.
- W2024706020 hasConcept C125277925 @default.
- W2024706020 hasConcept C134306372 @default.
- W2024706020 hasConcept C137800194 @default.
- W2024706020 hasConcept C164660894 @default.
- W2024706020 hasConcept C167812310 @default.
- W2024706020 hasConcept C185592680 @default.
- W2024706020 hasConcept C186429297 @default.
- W2024706020 hasConcept C194232370 @default.
- W2024706020 hasConcept C201362023 @default.
- W2024706020 hasConcept C2781442258 @default.
- W2024706020 hasConcept C30475298 @default.
- W2024706020 hasConcept C32909587 @default.
- W2024706020 hasConcept C33923547 @default.
- W2024706020 hasConcept C55352822 @default.
- W2024706020 hasConcept C62520636 @default.
- W2024706020 hasConcept C66594872 @default.
- W2024706020 hasConcept C74650414 @default.
- W2024706020 hasConceptScore W2024706020C101645829 @default.
- W2024706020 hasConceptScore W2024706020C104114177 @default.
- W2024706020 hasConceptScore W2024706020C113843644 @default.
- W2024706020 hasConceptScore W2024706020C120665830 @default.
- W2024706020 hasConceptScore W2024706020C121332964 @default.
- W2024706020 hasConceptScore W2024706020C125277925 @default.
- W2024706020 hasConceptScore W2024706020C134306372 @default.
- W2024706020 hasConceptScore W2024706020C137800194 @default.
- W2024706020 hasConceptScore W2024706020C164660894 @default.
- W2024706020 hasConceptScore W2024706020C167812310 @default.
- W2024706020 hasConceptScore W2024706020C185592680 @default.
- W2024706020 hasConceptScore W2024706020C186429297 @default.
- W2024706020 hasConceptScore W2024706020C194232370 @default.
- W2024706020 hasConceptScore W2024706020C201362023 @default.
- W2024706020 hasConceptScore W2024706020C2781442258 @default.
- W2024706020 hasConceptScore W2024706020C30475298 @default.
- W2024706020 hasConceptScore W2024706020C32909587 @default.
- W2024706020 hasConceptScore W2024706020C33923547 @default.
- W2024706020 hasConceptScore W2024706020C55352822 @default.
- W2024706020 hasConceptScore W2024706020C62520636 @default.
- W2024706020 hasConceptScore W2024706020C66594872 @default.
- W2024706020 hasConceptScore W2024706020C74650414 @default.
- W2024706020 hasIssue "5-6" @default.
- W2024706020 hasLocation W20247060201 @default.
- W2024706020 hasOpenAccess W2024706020 @default.
- W2024706020 hasPrimaryLocation W20247060201 @default.
- W2024706020 hasRelatedWork W148594420 @default.
- W2024706020 hasRelatedWork W1611524765 @default.
- W2024706020 hasRelatedWork W1986554642 @default.
- W2024706020 hasRelatedWork W2024706020 @default.
- W2024706020 hasRelatedWork W2090534830 @default.
- W2024706020 hasRelatedWork W2132068786 @default.
- W2024706020 hasRelatedWork W2369070970 @default.
- W2024706020 hasRelatedWork W2384348032 @default.
- W2024706020 hasRelatedWork W2384402133 @default.
- W2024706020 hasRelatedWork W3125846555 @default.
- W2024706020 hasVolume "342" @default.
- W2024706020 isParatext "false" @default.
- W2024706020 isRetracted "false" @default.
- W2024706020 magId "2024706020" @default.