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Volumn , Issue 12, 1997, Pages 2601-2605

Methylamination of some 3-nitro-1,8-naphthyridines with liquid methylamine/potassium permanganate

Author keywords

1,8 Naphthyridines; Calculations, PM3; Methylaminations; Nitro compounds

Indexed keywords


EID: 33748988502     PISSN: 09473440     EISSN: None     Source Type: Journal    
DOI: 10.1002/jlac.199719971227     Document Type: Article
Times cited : (11)

References (16)
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    • Konno, F.1    Umehara, N.2    Isomae, K.3    Katori, T.4
  • 3
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  • 4
    • 33749035595 scopus 로고
    • Ger.Offen. 2, 441, 599
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    • (1974)
    • David, R.1
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  • 12
    • 33749038142 scopus 로고    scopus 로고
    • note
    • The PM3 method was used for the semiempirical MO calculations using the MOPAC (version 6) molecular orbital package. The starting geometries and intermediary structures were obtained from the corresponding molecular models, fully optimized using keyword PRECISE. The transition states TS were calculated using a SADDLE suboutine. An NLLSQ procedure was used for gradient optimization (< 0.1 kcal/mol/A). Calculations were performed until at least one negative Hessian was obtained. The THERMO procedure was used to correct the results of calculations for temperature 266 K.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.