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Volumn 103, Issue 20, 1999, Pages 4113-4117

Computational estimates of the gas-phase basicity and proton affinity of glutamic acid

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Indexed keywords


EID: 0001182231     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9908101     Document Type: Article
Times cited : (46)

References (56)
  • 11
    • 0030560637 scopus 로고    scopus 로고
    • (a) Cassady, C. J.; Wronka, J.; Kruppa, G. H.; Laukien, F. H. Rapid Commun. Mass Spectrom. 1994, 8, 394-400. Zhang, X.; Cassady, C. J. J. Am. Soc. Mass Spectrom. 1996, 7, 1211-1218.
    • (1996) J. Am. Soc. Mass Spectrom. , vol.7 , pp. 1211-1218
    • Zhang, X.1    Cassady, C.J.2
  • 55
    • 0011083273 scopus 로고    scopus 로고
    • Scott, A. P.; Radom, L. J. Phys. Chem. 1996, 100, 16502-16513. This reference provides optimal scaling factors for a large number of computational methods and basis sets. However, the B3LYP/6-31+G** level was not included in this study. Therefore, we use the recommended values for the closely related B3LYP/6-31G(d) approach. The scale factors were 0.9804 (ZPE), 0.9989 (H), and 1.0015 (S). In fact, the latter two scale factors are so close to unity that 1.0 was used for both of them.
    • (1996) J. Phys. Chem. , vol.100 , pp. 16502-16513
    • Scott, A.P.1    Radom, L.2
  • 56
    • 85034133425 scopus 로고    scopus 로고
    • unpublished work
    • Marynick, D. S., unpublished work.
    • Marynick, D.S.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.