Matches in SemOpenAlex for { <https://semopenalex.org/work/W2034111047> ?p ?o ?g. }
Showing items 1 to 90 of
90
with 100 items per page.
- W2034111047 endingPage "20" @default.
- W2034111047 startingPage "1" @default.
- W2034111047 abstract "Ab initio potential energy surfaces for the ground (<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:msup><mml:mrow><mml:mover accent=true><mml:mrow><mml:mi>X</mml:mi></mml:mrow><mml:mo>̃</mml:mo></mml:mover></mml:mrow><mml:mrow><mml:mn>1</mml:mn></mml:mrow></mml:msup><mml:msup><mml:mrow><mml:mi>A</mml:mi></mml:mrow><mml:mrow><mml:mi>′</mml:mi></mml:mrow></mml:msup></mml:math>) and excited (<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mover><mml:mi>A</mml:mi><mml:mo>˜</mml:mo></mml:mover><mml:msup><mml:mi>A</mml:mi><mml:mo>′′</mml:mo></mml:msup><mml:mn>1</mml:mn></mml:math>) electronic states of HSiBr were obtained by using the single and double excitation coupled-cluster theory with a noniterative perturbation treatment of triple excitations and the multireference configuration interaction with Davidson correction, respectively, employing an augmented correlation-consistent polarized valence quadruple zeta basis set. The calculated vibrational energy levels of HSiBr and DSiBr of the ground and excited electronic states are in excellent agreement with the available experimental band origins. In addition, the absorption and emission spectra of HSiBr and DSiBr were calculated using an efficient single Lanczos propagation method and are in good agreement with the available experimental observations." @default.
- W2034111047 created "2016-06-24" @default.
- W2034111047 creator A5016546361 @default.
- W2034111047 creator A5019747633 @default.
- W2034111047 creator A5066544142 @default.
- W2034111047 date "2012-10-13" @default.
- W2034111047 modified "2023-10-14" @default.
- W2034111047 title "<i>Ab Initio</i> Potential Energy Surfaces for Both the Ground (<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:msup><mml:mrow><mml:mover accent=true><mml:mrow><mml:mi>X</mml:mi></mml:mrow><mml:mo>̃</mml:mo></mml:mover></mml:mrow><mml:mrow><mml:mn>1</mml:mn></mml:mrow></mml:msup><mml:msup><mml:mrow><mml:mi>A</mml:mi></mml:mrow><mml:mrow><mml:mi>′</mml:mi></mml:mrow></mml:msup></mml:math>) and Excited (<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:msup><mml:mover…" @default.
- W2034111047 cites W1666699106 @default.
- W2034111047 cites W1967638749 @default.
- W2034111047 cites W1968245688 @default.
- W2034111047 cites W1971568926 @default.
- W2034111047 cites W1981217108 @default.
- W2034111047 cites W1988287910 @default.
- W2034111047 cites W1994969406 @default.
- W2034111047 cites W2003320348 @default.
- W2034111047 cites W2003394509 @default.
- W2034111047 cites W2007016304 @default.
- W2034111047 cites W2023927079 @default.
- W2034111047 cites W2025897366 @default.
- W2034111047 cites W2026455502 @default.
- W2034111047 cites W2032436962 @default.
- W2034111047 cites W2035504896 @default.
- W2034111047 cites W2036818822 @default.
- W2034111047 cites W2037145111 @default.
- W2034111047 cites W2038922877 @default.
- W2034111047 cites W2040654649 @default.
- W2034111047 cites W2045357567 @default.
- W2034111047 cites W2049840341 @default.
- W2034111047 cites W2050453167 @default.
- W2034111047 cites W2052372639 @default.
- W2034111047 cites W2056517171 @default.
- W2034111047 cites W2067792117 @default.
- W2034111047 cites W2069006374 @default.
- W2034111047 cites W2073125394 @default.
- W2034111047 cites W2074370541 @default.
- W2034111047 cites W2087225946 @default.
- W2034111047 cites W2090780360 @default.
- W2034111047 cites W2091825943 @default.
- W2034111047 cites W2106044366 @default.
- W2034111047 cites W2117686912 @default.
- W2034111047 cites W2158859305 @default.
- W2034111047 cites W2169192827 @default.
- W2034111047 cites W2500314216 @default.
- W2034111047 doi "https://doi.org/10.1155/2012/572148" @default.
- W2034111047 hasPublicationYear "2012" @default.
- W2034111047 type Work @default.
- W2034111047 sameAs 2034111047 @default.
- W2034111047 citedByCount "30" @default.
- W2034111047 countsByYear W20341110472013 @default.
- W2034111047 countsByYear W20341110472014 @default.
- W2034111047 countsByYear W20341110472015 @default.
- W2034111047 countsByYear W20341110472016 @default.
- W2034111047 countsByYear W20341110472017 @default.
- W2034111047 countsByYear W20341110472018 @default.
- W2034111047 countsByYear W20341110472019 @default.
- W2034111047 countsByYear W20341110472020 @default.
- W2034111047 countsByYear W20341110472022 @default.
- W2034111047 crossrefType "journal-article" @default.
- W2034111047 hasAuthorship W2034111047A5016546361 @default.
- W2034111047 hasAuthorship W2034111047A5019747633 @default.
- W2034111047 hasAuthorship W2034111047A5066544142 @default.
- W2034111047 hasBestOaLocation W20341110471 @default.
- W2034111047 hasConcept C11413529 @default.
- W2034111047 hasConcept C154945302 @default.
- W2034111047 hasConcept C41008148 @default.
- W2034111047 hasConceptScore W2034111047C11413529 @default.
- W2034111047 hasConceptScore W2034111047C154945302 @default.
- W2034111047 hasConceptScore W2034111047C41008148 @default.
- W2034111047 hasFunder F4320321001 @default.
- W2034111047 hasLocation W20341110471 @default.
- W2034111047 hasOpenAccess W2034111047 @default.
- W2034111047 hasPrimaryLocation W20341110471 @default.
- W2034111047 hasRelatedWork W2051487156 @default.
- W2034111047 hasRelatedWork W2052122378 @default.
- W2034111047 hasRelatedWork W2053286651 @default.
- W2034111047 hasRelatedWork W2073681303 @default.
- W2034111047 hasRelatedWork W2317200988 @default.
- W2034111047 hasRelatedWork W2544423928 @default.
- W2034111047 hasRelatedWork W2947381795 @default.
- W2034111047 hasRelatedWork W2181413294 @default.
- W2034111047 hasRelatedWork W2181743346 @default.
- W2034111047 hasRelatedWork W2187401768 @default.
- W2034111047 hasVolume "2012" @default.
- W2034111047 isParatext "false" @default.
- W2034111047 isRetracted "false" @default.
- W2034111047 magId "2034111047" @default.
- W2034111047 workType "article" @default.