Theoretical and 15N-NMR study of some high energetic nitramines

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26310%2F01%3APU22157" target="_blank" >RIV/00216305:26310/01:PU22157 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Theoretical and 15N-NMR study of some high energetic nitramines

Original language description

Electronic charges q at nitrogen atoms of twenty nitramines were calculated at the ab initio B3LYP/6-31G**//HF/6-31G** level. The relationships between 15N-NMR chemical shifts of nitrogen atom in the nitro group and squares of detonation velocities or heats of explosion were confirmed.

Czech name

Teoretická a N-NMR studie vysokoenergetických nitraminů.

Czech description

Elektronové náboje na dusíkových atomech dvaceti nitraminů byly vypočteny pomocí B3LYP/6-31G**//HF-6-31G** metody. Korelací nábojů, 15N NMR posunů a detonačních charakteristik nitraminů byly získány vzájemné významné závislosti. lectronic charges q atnitrogen atoms of twenty nitramines were calculated at the ab initio B3LYP/6-31G**//HF/6-31G** level. The relationships between 15N-NMR chemical shifts of nitrogen atom in the nitro group and squares of detonation velocities or heats of explosion were coonfirmed.

Type

D - Article in proceedings

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

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Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2001

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Article name in the collection

Proc. Seminar 16th NMR Valtice

ISBN

80-210-2566-2

ISSN

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e-ISSN

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Number of pages

1

Pages from-to

10-10

Publisher name

Masaryk University

Place of publication

Brno

Event location

Valtice

Event date

Apr 23, 2001

Type of event by nationality

EUR - Evropská akce

UT code for WoS article

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