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Volumn 42, Issue 22, 2003, Pages 7129-7136

Structural Changes, P-P Bond Energies, and Homolytic Dissociation Enthalpies of Substituted Diphosphines from Quantum Mechanical Calculations

Author keywords

[No Author keywords available]

Indexed keywords

DIPHOSPHINE DERIVATIVE; PHOSPHATE; PHOSPHINE DERIVATIVE; RADICAL; UNCLASSIFIED DRUG;

EID: 0242353389     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic034606a     Document Type: Article
Times cited : (14)

References (24)
  • 1
    • 0242335407 scopus 로고    scopus 로고
    • note
    • The experimental atomization energies of methane and ethane and the enthalpy for homolytic dissociation of ethane into methyl radicals at 298 K were obtained using thermodynamic data from NIST Standard Reference Database Number 69, release March, 2003, http://web-book.nist.gov/chemistry. The standard enthalpies at 298 K were converted to those in the vibrationless state at 0 K by applying corresponding corrections calculated at the B3LYP/6-311+G** level.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.