A molecular orbital study on the effects
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Yuji Kohno; Koji Maekawa; Toshiki Tsuchioka; Takatsugu Hashizume; Akira Imamura
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Article
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1993
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Elsevier Science
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English
β 455 KB
In order to investigate the influence of electron correlation on the characteristic N-N bond in connection with the impact sensitivity in nitramines, only the N-NO2 bond length of N,Ndimethylnitramine is optimized by the ab initio molecular orbital method to assess the effect of the electron correla