FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1976083224> ?p ?o ?g. }

• W1976083224 endingPage "5899" @default.
• W1976083224 startingPage "5891" @default.
• W1976083224 abstract "Large‐scale calculations by the single, double, and perturbative triple excitation coupled cluster [CCSD(T)] method have been carried out for C3. A linear equilibrium geometry with Re=1.2945 Å was obtained. The use of large basis sets and the inclusion of connected triple substitutions is crucial for an accurate representation of the extremely shallow bending potential. Rovibrational term energies were calculated from a three‐dimensional CCSD(T) potential (basis: 177 contracted Gaussian‐type orbitals) by the discrete variable representation (DVR). Compared with the best previous ab initio calculations [P. Jensen et al., J. Chem. Phys. 97, 3399 (1992)] agreement with experiment is improved by almost an order of magnitude. The errors in the wave numbers of the fundamentals are −7.7 (ν1), 0.9 (ν2), and 0.6 (ν3) cm−1, respectively." @default.
• W1976083224 created "2016-06-24" @default.
• W1976083224 creator A5036344400 @default.
• W1976083224 creator A5042119537 @default.
• W1976083224 creator A5072247785 @default.
• W1976083224 date "1994-10-01" @default.
• W1976083224 modified "2023-10-14" @default.
• W1976083224 title "Large‐scale <i>ab</i> <i>initio</i> calculations for C₃" @default.
• W1976083224 cites W197511909 @default.
• W1976083224 cites W1981713749 @default.
• W1976083224 cites W1985061989 @default.
• W1976083224 cites W1993077801 @default.
• W1976083224 cites W1993870530 @default.
• W1976083224 cites W1996990770 @default.
• W1976083224 cites W2007466458 @default.
• W1976083224 cites W2018311389 @default.
• W1976083224 cites W2025925843 @default.
• W1976083224 cites W2026543435 @default.
• W1976083224 cites W2031324175 @default.
• W1976083224 cites W2034235266 @default.
• W1976083224 cites W2041513049 @default.
• W1976083224 cites W2041802405 @default.
• W1976083224 cites W2047729295 @default.
• W1976083224 cites W2053337631 @default.
• W1976083224 cites W2063791348 @default.
• W1976083224 cites W2064664708 @default.
• W1976083224 cites W2069006374 @default.
• W1976083224 cites W2083112312 @default.
• W1976083224 cites W2089398223 @default.
• W1976083224 cites W2091825943 @default.
• W1976083224 cites W2092930273 @default.
• W1976083224 cites W2095733121 @default.
• W1976083224 cites W2170173923 @default.
• W1976083224 doi "https://doi.org/10.1063/1.467305" @default.
• W1976083224 hasPublicationYear "1994" @default.
• W1976083224 type Work @default.
• W1976083224 sameAs 1976083224 @default.
• W1976083224 citedByCount "67" @default.
• W1976083224 countsByYear W19760832242014 @default.
• W1976083224 countsByYear W19760832242015 @default.
• W1976083224 countsByYear W19760832242016 @default.
• W1976083224 countsByYear W19760832242017 @default.
• W1976083224 countsByYear W19760832242018 @default.
• W1976083224 countsByYear W19760832242019 @default.
• W1976083224 countsByYear W19760832242020 @default.
• W1976083224 countsByYear W19760832242022 @default.
• W1976083224 countsByYear W19760832242023 @default.
• W1976083224 crossrefType "journal-article" @default.
• W1976083224 hasAuthorship W1976083224A5036344400 @default.
• W1976083224 hasAuthorship W1976083224A5042119537 @default.
• W1976083224 hasAuthorship W1976083224A5072247785 @default.
• W1976083224 hasConcept C113603373 @default.
• W1976083224 hasConcept C121332964 @default.
• W1976083224 hasConcept C12426560 @default.
• W1976083224 hasConcept C147120987 @default.
• W1976083224 hasConcept C147597530 @default.
• W1976083224 hasConcept C163716315 @default.
• W1976083224 hasConcept C167812310 @default.
• W1976083224 hasConcept C181500209 @default.
• W1976083224 hasConcept C183971685 @default.
• W1976083224 hasConcept C184779094 @default.
• W1976083224 hasConcept C185592680 @default.
• W1976083224 hasConcept C189394030 @default.
• W1976083224 hasConcept C19637589 @default.
• W1976083224 hasConcept C2524010 @default.
• W1976083224 hasConcept C2777529809 @default.
• W1976083224 hasConcept C2781442258 @default.
• W1976083224 hasConcept C32909587 @default.
• W1976083224 hasConcept C33923547 @default.
• W1976083224 hasConcept C62520636 @default.
• W1976083224 hasConceptScore W1976083224C113603373 @default.
• W1976083224 hasConceptScore W1976083224C121332964 @default.
• W1976083224 hasConceptScore W1976083224C12426560 @default.
• W1976083224 hasConceptScore W1976083224C147120987 @default.
• W1976083224 hasConceptScore W1976083224C147597530 @default.
• W1976083224 hasConceptScore W1976083224C163716315 @default.
• W1976083224 hasConceptScore W1976083224C167812310 @default.
• W1976083224 hasConceptScore W1976083224C181500209 @default.
• W1976083224 hasConceptScore W1976083224C183971685 @default.
• W1976083224 hasConceptScore W1976083224C184779094 @default.
• W1976083224 hasConceptScore W1976083224C185592680 @default.
• W1976083224 hasConceptScore W1976083224C189394030 @default.
• W1976083224 hasConceptScore W1976083224C19637589 @default.
• W1976083224 hasConceptScore W1976083224C2524010 @default.
• W1976083224 hasConceptScore W1976083224C2777529809 @default.
• W1976083224 hasConceptScore W1976083224C2781442258 @default.
• W1976083224 hasConceptScore W1976083224C32909587 @default.
• W1976083224 hasConceptScore W1976083224C33923547 @default.
• W1976083224 hasConceptScore W1976083224C62520636 @default.
• W1976083224 hasIssue "7" @default.
• W1976083224 hasLocation W19760832241 @default.
• W1976083224 hasOpenAccess W1976083224 @default.
• W1976083224 hasPrimaryLocation W19760832241 @default.
• W1976083224 hasRelatedWork W1970921761 @default.
• W1976083224 hasRelatedWork W2028786966 @default.
• W1976083224 hasRelatedWork W2034890264 @default.
• W1976083224 hasRelatedWork W2050148718 @default.
• W1976083224 hasRelatedWork W2087992056 @default.

• next