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Volumn 17, Issue 21, 2011, Pages 5808-5826

Anchor points for the unified Brønsted acidity scale: The rCCC model for the calculation of standard Gibbs energies of proton solvation in eleven representative liquid media

Author keywords

acidity; Br nsted acids; gas phase acidity; solution acidity; thermodynamics

Indexed keywords

ACETONITRILE; BENZENE; BROMINE; DICHLOROMETHANE; DIMETHYL SULFOXIDE; ETHERS; ORGANIC SOLVENTS; PROTONS; QUANTUM CHEMISTRY; SOLVATION; SOLVENTS; SPHERES; STANDARDS; SULFUR; SULFUR DIOXIDE; SULFURIC ACID; THERMODYNAMICS;

EID: 84961981787     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201003164     Document Type: Article
Times cited : (54)

References (131)
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    • [40] default value
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    • Calculated from difference between thermodynamical data in the liquid and the gas phase; gas phase data from:, 4 th ed. (Ed.: M. W. Chase, Jr.), American Institute of Physics, Woodbury, New York,; liquid data from
    • Calculated from difference between thermodynamical data in the liquid and the gas phase; gas phase data from: NIST-JANAF Thermochemical Tables (Journal of Physical and Chemical Reference Data Monograph 9), 4 th ed., (Ed.: M. W. Chase, Jr.,), American Institute of Physics, Woodbury, New York, 1998; liquid data from
    • (1998) NIST-JANAF Thermochemical Tables (Journal of Physical and Chemical Reference Data Monograph 9)
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    • International Programme on Chemical Safety (IPCS), International Chemical Safety Cards(ICSC).
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    • note
    • 0).
  • 102
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    • note
    • By chance scaling factors for BP86/def-TZVP frequencies are very close to unity. Therefore we did not scale the contributions to entropy/enthalpy.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.