SOME PECULIARITIES OF THE EFFECT OF MOLECULAR-STRUCTURE ON THE ACTIVATION-ENERGY OF RADICAL GAS-PHASE DECAY OF AROMATIC NITRO-COMPOUNDS

被引：5

作者：

KHRAPKOVSKII, GM ^{[1
]}

ERMAKOVA, EA ^{[1
]}

RAFEEV, VA ^{[1
]}

机构：

[1] RUSSIAN ACAD SCI,INST CHEM PHYS,CHERNOGOLOVKA 142432,RUSSIA

来源：

RUSSIAN CHEMICAL BULLETIN | 1994年 / 43卷 / 12期

关键词：

AROMATIC NITRO COMPOUNDS; THERMAL DECOMPOSITION; QUANTUM CHEMICAL CALCULATION; ACTIVATION ENERGY; CORRELATION DEPENDENCE;

D O I：

10.1007/BF00700157

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The relation of parameters of geometric and electronic structures to the activation energies of the radical gas-phase decomposition of nitro compounds is shown. A sufficiently simple and precise method for calculation of the activation energy is suggested.

引用

页码：1999 / 2003

页数：5

共 18 条

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[2]

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[3]

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[4]

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[5]

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[6]

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[7]

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[8]

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[9]

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[10]

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