FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2015814376> ?p ?o ?g. }

• W2015814376 endingPage "971" @default.
• W2015814376 startingPage "960" @default.
• W2015814376 abstract "A configuration‐interaction calculation on the ground state of H3+ has been done using Slater‐type orbitals of the form 1s, 2s, 2px, 2py, 2pz to form the basis set. The calculation was effected by approximating the exact wavefunction for the system by a linear combination of configurations, each of which is a properly antisymmetrized function constructed from the basis orbitals, and by applying the variation theorem to the approximate wavefunction.The most stable nuclear geometry for H3+ is an equilateral triangle, since a plot of total energy versus central bond angle shows a deep minimum at a bond angle of 60 deg.The best energy that was obtained for the equilateral triangle was —1.33264 hartree at R=1.6575 bohr, using 12 basis orbitals and 12 symmetry‐adapted configurations. The experimental energy for H3+ is not known, but is estimated to be —1.35 hartree from these calculations.The first excited singlet state, which is a doubly degenerate 1E′ state, has been examined at many values of R for an equilateral triangle with three basis orbitals, and has been found to give a typical repulsive energy curve.The fundamental vibrational frequencies for the ground state have been calculated, and it has been found that the symmetric stretch frequency is 3354±60 cm—1, and the doubly degenerate bending frequency is 2790±100 cm—1." @default.
• W2015814376 created "2016-06-24" @default.
• W2015814376 creator A5049215519 @default.
• W2015814376 date "1964-08-15" @default.
• W2015814376 modified "2023-09-23" @default.
• W2015814376 title "Configuration‐Interaction Study of the Ground State of the H₃⁺ Molecule" @default.
• W2015814376 cites W1971355751 @default.
• W2015814376 cites W1973191132 @default.
• W2015814376 cites W1976208616 @default.
• W2015814376 cites W1977025943 @default.
• W2015814376 cites W1977123985 @default.
• W2015814376 cites W1980328307 @default.
• W2015814376 cites W1984006027 @default.
• W2015814376 cites W1989336284 @default.
• W2015814376 cites W1995064331 @default.
• W2015814376 cites W1996108736 @default.
• W2015814376 cites W2008560833 @default.
• W2015814376 cites W2014028872 @default.
• W2015814376 cites W2022567178 @default.
• W2015814376 cites W2022800518 @default.
• W2015814376 cites W2025902821 @default.
• W2015814376 cites W2027730510 @default.
• W2015814376 cites W2035028578 @default.
• W2015814376 cites W2041713953 @default.
• W2015814376 cites W2048948958 @default.
• W2015814376 cites W2151752974 @default.
• W2015814376 cites W2159136592 @default.
• W2015814376 cites W2326671732 @default.
• W2015814376 cites W2328535263 @default.
• W2015814376 cites W4252812712 @default.
• W2015814376 doi "https://doi.org/10.1063/1.1726039" @default.
• W2015814376 hasPublicationYear "1964" @default.
• W2015814376 type Work @default.
• W2015814376 sameAs 2015814376 @default.
• W2015814376 citedByCount "94" @default.
• W2015814376 countsByYear W20158143762012 @default.
• W2015814376 countsByYear W20158143762013 @default.
• W2015814376 countsByYear W20158143762015 @default.
• W2015814376 countsByYear W20158143762017 @default.
• W2015814376 countsByYear W20158143762020 @default.
• W2015814376 countsByYear W20158143762023 @default.
• W2015814376 crossrefType "journal-article" @default.
• W2015814376 hasAuthorship W2015814376A5049215519 @default.
• W2015814376 hasConcept C113603373 @default.
• W2015814376 hasConcept C121332964 @default.
• W2015814376 hasConcept C145196801 @default.
• W2015814376 hasConcept C146786541 @default.
• W2015814376 hasConcept C147120987 @default.
• W2015814376 hasConcept C181500209 @default.
• W2015814376 hasConcept C184779094 @default.
• W2015814376 hasConcept C185592680 @default.
• W2015814376 hasConcept C189394030 @default.
• W2015814376 hasConcept C2524010 @default.
• W2015814376 hasConcept C2777529809 @default.
• W2015814376 hasConcept C32909587 @default.
• W2015814376 hasConcept C33923547 @default.
• W2015814376 hasConcept C53848692 @default.
• W2015814376 hasConcept C62520636 @default.
• W2015814376 hasConcept C65956243 @default.
• W2015814376 hasConcept C68030841 @default.
• W2015814376 hasConcept C69523127 @default.
• W2015814376 hasConcept C72319582 @default.
• W2015814376 hasConcept C80062241 @default.
• W2015814376 hasConceptScore W2015814376C113603373 @default.
• W2015814376 hasConceptScore W2015814376C121332964 @default.
• W2015814376 hasConceptScore W2015814376C145196801 @default.
• W2015814376 hasConceptScore W2015814376C146786541 @default.
• W2015814376 hasConceptScore W2015814376C147120987 @default.
• W2015814376 hasConceptScore W2015814376C181500209 @default.
• W2015814376 hasConceptScore W2015814376C184779094 @default.
• W2015814376 hasConceptScore W2015814376C185592680 @default.
• W2015814376 hasConceptScore W2015814376C189394030 @default.
• W2015814376 hasConceptScore W2015814376C2524010 @default.
• W2015814376 hasConceptScore W2015814376C2777529809 @default.
• W2015814376 hasConceptScore W2015814376C32909587 @default.
• W2015814376 hasConceptScore W2015814376C33923547 @default.
• W2015814376 hasConceptScore W2015814376C53848692 @default.
• W2015814376 hasConceptScore W2015814376C62520636 @default.
• W2015814376 hasConceptScore W2015814376C65956243 @default.
• W2015814376 hasConceptScore W2015814376C68030841 @default.
• W2015814376 hasConceptScore W2015814376C69523127 @default.
• W2015814376 hasConceptScore W2015814376C72319582 @default.
• W2015814376 hasConceptScore W2015814376C80062241 @default.
• W2015814376 hasIssue "4" @default.
• W2015814376 hasLocation W20158143761 @default.
• W2015814376 hasOpenAccess W2015814376 @default.
• W2015814376 hasPrimaryLocation W20158143761 @default.
• W2015814376 hasRelatedWork W1542166291 @default.
• W2015814376 hasRelatedWork W1982072668 @default.
• W2015814376 hasRelatedWork W1986066216 @default.
• W2015814376 hasRelatedWork W1994461869 @default.
• W2015814376 hasRelatedWork W2015814376 @default.
• W2015814376 hasRelatedWork W2024999454 @default.
• W2015814376 hasRelatedWork W2087161757 @default.
• W2015814376 hasRelatedWork W2091595136 @default.
• W2015814376 hasRelatedWork W2739930579 @default.
• W2015814376 hasRelatedWork W2801304703 @default.
• W2015814376 hasVolume "41" @default.

• next