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Volumn 14, Issue 31, 2012, Pages 10891-10895

The entrance complex, transition state, and exit complex for the F + H 2O → HF + OH reaction. Definitive predictions. Comparison with popular density functional methods

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EID: 84864247166     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c2cp41555k     Document Type: Article
Times cited : (58)

References (77)
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    • 33846053175 scopus 로고    scopus 로고
    • c(LYP), which is actually somewhat different from the formulation proposed by Becke in his paper
    • Y. Zhao D. G. Truhlar J. Phys. Chem. A 2006 110 13126
    • (2006) J. Phys. Chem. A , vol.110 , pp. 13126
    • Zhao, Y.1    Truhlar, D.G.2
  • 29
    • 34250817103 scopus 로고
    • A new mixing of Hartree-Fock and local density-functional theories
    • A. D. Becke "A new mixing of Hartree-Fock and local density-functional theories" J. Chem. Phys. 1993 98 1372
    • (1993) J. Chem. Phys. , vol.98 , pp. 1372
    • Becke, A.D.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.