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Volumn 33, Issue 1, 2009, Pages 50-56

The solubility and recrystallization of 1,3,5-triamino-2,4,6- trinitrobenzene in a 3-ethyl-1-methylimidazolium acetate-DMSO co-solvent system

Author keywords

[No Author keywords available]

Indexed keywords

1,3,5 TRIAMINO 2,4,6 TRINITROBENZENE; ACETIC ACID; ANION; BENZENE DERIVATIVE; CHLORINE; DIMETHYL SULFOXIDE; IMIDAZOLE DERIVATIVE; IONIC LIQUID; NITRATE; ORGANIC SOLVENT; SULFURIC ACID; UNCLASSIFIED DRUG;

EID: 58149151248     PISSN: 11440546     EISSN: 13699261     Source Type: Journal    
DOI: 10.1039/b810109d     Document Type: Article
Times cited : (49)

References (28)
  • 18
    • 38649122688 scopus 로고    scopus 로고
    • We performed all-electron calculations employing the double numeric polarized (DNP) basis set on a fine integration grid and the gradient-corrected PBE exchange correlation function. The total cohesive energy was computed by taking the difference of the total energy of a TATB unit cell (normalized per TATB molecule) from that of an isolated TATB molecule. Next, a vacuum slab normal to the basal plane was created in order to isolate the hydrogen-bonded layers of TATB from each other. The total energy of such a cell yielded a contribution to the total CED coming from just the intralayer hydrogen bond interactions
    • H. Jin B. O'Hare J. Dong S. Arzhantsev G. A. Baker J. F. Wishart A. J. Benesi M. Maroncelli J. Phys. Chem. B 2008 112 81
    • (2008) J. Phys. Chem. B , vol.112 , pp. 81
    • Jin, H.1    O'Hare, B.2    Dong, J.3    Arzhantsev, S.4    Baker, G.A.5    Wishart, J.F.6    Benesi, A.J.7    Maroncelli, M.8


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.