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Volumn 106, Issue 6, 2002, Pages 925-932

A new cluster pair method of determining absolute single ion solvation energies demonstrated in water and applied to ammonia

Author keywords

[No Author keywords available]

Indexed keywords

SOLVATION ENERGY;

EID: 0037075394     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp013242+     Document Type: Article
Times cited : (87)

References (20)
  • 4
    • 0011120650 scopus 로고    scopus 로고
    • unpublished report
    • Malaxos, S., unpublished report, 1999.
    • (1999)
    • Malaxos, S.1
  • 11
    • 0000213303 scopus 로고
    • Castleman, A.W., Jr.; Holland, P.M.; Lindsay, D.M.; Peterson, K.I. J. Am. Chem. Soc. 1978, 100, 6039. Castleman, A.W., Jr. Chem. Phys. Lett. 1978, 53, 560.
    • (1978) Chem. Phys. Lett. , vol.53 , pp. 560
    • Castleman A.W., Jr.1
  • 15
    • 0003527976 scopus 로고
    • Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Gill, P.M.W.; Johnson, B.G.; Robb, M.A.; Cheeseman, J.R.; Keith, T.; Petersson, G.A.; Montgomery, J.A.; Raghavachari, K.; Al-Laham, M.A.; Zakrzewski, V.G.; Ortiz, J.V.; Foresman, J.B.; Cioslowski, J.; Stefanov, B.B.; Nanayakkara, A.; Challacombe, M.; Peng, C.Y.; Ayala, P.Y.; Chen, W.; Wong, M.W.; Andres, J.L.; Replogle, E.S.; Gomperts, R.; Martin, R.L.; Fox, D.J.; Binkley, J.S.; Defrees, D.J.; Baker, J.; Stewart, J.P.; Head-Gordon, M.; Gonzalez, C.; Pople, J.A. Gaussian 94, revision x.x; Gaussian, Inc.: Pittsburgh, PA, 1995. The program provides statistical mechanical corrections as described in Statistical Mechanics by Donald A. McQuarrie (1976) page 138.
    • (1976) Statistical Mechanics , pp. 138
    • McQuarrie, D.A.1
  • 17
    • 33947455218 scopus 로고
    • Jolly, W.L. Chem. Rev. 1952, 59, 351. Using the data from Table 3 the standard enthalpy of ammonation of the RbBr pair is -681.1 kJ/mol so that the equality assumption means that the value for the Br ion is -340.6 kJ/mol. Again using the data from Table 3 the standard enthalpy of ammonation of the HBr pair is -1564 kJ/mol, which then combines with the -341 kJ/mol for the Br ion to give -1223 kJ/mol for the standard absolute enthalpy of ammonation of the proton.
    • (1952) Chem. Rev. , vol.59 , pp. 351
    • Jolly, W.L.1
  • 20
    • 1642577314 scopus 로고
    • JANAF thermochemical tables
    • National Bureau of Standards: Washington, DC
    • JANAF Thermochemical Tables; Nat. Stand. Ref. Data Ser. NSRD-NSB 37; National Bureau of Standards: Washington, DC, 1971.
    • (1971) Nat. Stand. Ref. Data Ser. NSRD-NSB , vol.37


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