Electronic charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of Some Nitramines
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26310%2F03%3APU41959" target="_blank" >RIV/00216305:26310/03:PU41959 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Electronic charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of Some Nitramines
Original language description
Electronic charges q at nitrogen atoms of 15 nitramines were calculated by means of ab initio DFT B3LYP/6-31G** method. The relationships have been confirmed between initiation characteristics of the nitramine and q values for primarily split off nitro groups. These relationships directly specify the most reactive nitro groups of corresponding molecules in their initiation and detonation.
Czech name
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Czech description
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Classification
Type
C - Chapter in a specialist book
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2003
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Book/collection name
Theory and Practice of Energetic Materials
ISBN
7-03-12202-X
Number of pages of the result
9
Pages from-to
710-718
Number of pages of the book
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Publisher name
Science Press
Place of publication
Beijing/New York
UT code for WoS chapter
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