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Volumn 101, Issue 39, 1997, Pages 7265-7276

Use of electron diffraction and high-resolution imaging to explain why the non-dipolar 1,3,5-triamino-2,4,6-trinitrobenzene displays strong powder second harmonic generation efficiency

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; COMPUTATIONAL METHODS; CRYSTALLINE MATERIALS; ELECTRON DIFFRACTION; IMAGING TECHNIQUES; MOLECULAR STRUCTURE; SECOND HARMONIC GENERATION;

EID: 0031237103     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp970193l     Document Type: Article
Times cited : (34)

References (46)
  • 3
    • 33745434671 scopus 로고
    • and references therein
    • Wortmann, R.; Krämer, P.; Glania, C.; Lebus, S.; Detzer, N. Chem. Phys. 1993, 173, 99; 1994, 229, 101, and references therein.
    • (1994) Chem. Phys. , vol.229 , pp. 101
  • 20
    • 0000947250 scopus 로고
    • (h) Cross, G. Nature 1995, 374, 307.
    • (1995) Nature , vol.374 , pp. 307
    • Cross, G.1
  • 40
    • 33749152979 scopus 로고    scopus 로고
    • (a) PM3 is known to overestimate the amount of torsion in triaminotrinitrobenzene derivatives: Wolff, J. J.; Gredel, F.; Irngartinger, H. Liebigs Ann. Chem. 1996, 1175. Ab initio calculations (HF, 6-31G*) revealed a flat hypersurface for the conformation of TATB in the gas phase; planar and nonplanar forms exist within a range of less than 1 kcal/mol: Wolff, J. J.; Frenking, G. Unpublished results.
    • (1996) Liebigs Ann. Chem. , pp. 1175
    • Wolff, J.J.1    Gredel, F.2    Irngartinger, H.3
  • 41
    • 85033169525 scopus 로고    scopus 로고
    • Unpublished results
    • (a) PM3 is known to overestimate the amount of torsion in triaminotrinitrobenzene derivatives: Wolff, J. J.; Gredel, F.; Irngartinger, H. Liebigs Ann. Chem. 1996, 1175. Ab initio calculations (HF, 6-31G*) revealed a flat hypersurface for the conformation of TATB in the gas phase; planar and nonplanar forms exist within a range of less than 1 kcal/mol: Wolff, J. J.; Frenking, G. Unpublished results.
    • Wolff, J.J.1    Frenking, G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.