APPLICATION OF MOLECULAR ORBITAL THEORY TO THE CHEMISTRY OF EXPLOSIVES. PART I: CALCULATION OF HEAT OF FORMATION OF EXPLOSIVES.

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作者：
Arai, M.
Andoh, T.
Tamura, M.
Yoshida, T.
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来源：
Explosion and Explosives (English translation of Kogyo Kayaku) | 1980年 / 41卷
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804 Chemical Products Generally;
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摘要：
In this paper we estimated the heat of formation of various explosives using the MINDO/3 method. This is the final version fo MINDO method, published in 1975. The results were compared with the actual and the values obtained by additivity rule. As a result it was found that the values obtained by additivity rule calculations agree with the measured values. It was also confirmed that it is possible, to some extent, to evaluate the explosive hazards by MINDO/3 method from a comparison of heat of formation per unit weight of explosive.
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