Attributes | Values |
---|
rdf:type
| |
Description
| - V naší předešlé práci byly zkoumány toxicity trinitrotoluenů a produktů jejich biotransformací. Obdržené hodnoty toxicit byly zpracovány metodou QSAR a byla nalezena závislost - logEC50 = f (I, log P, m ). Parametr I popisuje počet a vájemnou polohu nitro skupin, zbývající proměnné log P a m jsou běžnými QSAR parametry. Tato práce pojednává o teoretické inerpretaci QSAR parametru I použitím ab initio DFT B3LYP/6-311+G(d,p) výpočtů elektronových hustot na nitroskupinách a benzenovém jádře polynitroderivvátů toluenu. (cs)
- The toxicities of TNT's and products of their biodegradation were investigated previously. The obtained values of toxicity were processed on QSAR level and the dependence of - logEC50 = f (I, log P, m) was obtained. The term I reflects the number and mutual position of the nitro groups and remaining variables log P and m are standard QSAR descriptors. This paper deals with theoretical interpretation of QSAR term I by means of ab initio DFT B3LYP/6-311+G(d,p) calculations of electron densities at nitro groups and benzene ring of polynitro derivatives of toluene.
- The toxicities of TNT's and products of their biodegradation were investigated previously. The obtained values of toxicity were processed on QSAR level and the dependence of - logEC50 = f (I, log P, m) was obtained. The term I reflects the number and mutual position of the nitro groups and remaining variables log P and m are standard QSAR descriptors. This paper deals with theoretical interpretation of QSAR term I by means of ab initio DFT B3LYP/6-311+G(d,p) calculations of electron densities at nitro groups and benzene ring of polynitro derivatives of toluene. (en)
|
Title
| - Theoretical QSAR study of polynitro derivatives of toluene
- Teoretická QSAR studie polynitroderivátů toluenu (cs)
- Theoretical QSAR study of polynitro derivatives of toluene (en)
|
skos:prefLabel
| - Theoretical QSAR study of polynitro derivatives of toluene
- Teoretická QSAR studie polynitroderivátů toluenu (cs)
- Theoretical QSAR study of polynitro derivatives of toluene (en)
|
skos:notation
| - RIV/00216305:26310/05:PU52948!RIV06-MSM-26310___
|
http://linked.open.../vavai/riv/strany
| |
http://linked.open...avai/riv/aktivita
| |
http://linked.open...avai/riv/aktivity
| |
http://linked.open...iv/cisloPeriodika
| |
http://linked.open...vai/riv/dodaniDat
| |
http://linked.open...aciTvurceVysledku
| |
http://linked.open.../riv/druhVysledku
| |
http://linked.open...iv/duvernostUdaju
| |
http://linked.open...titaPredkladatele
| |
http://linked.open...dnocenehoVysledku
| |
http://linked.open...ai/riv/idVysledku
| - RIV/00216305:26310/05:PU52948
|
http://linked.open...riv/jazykVysledku
| |
http://linked.open.../riv/klicovaSlova
| - QSAR, trinitrotoluenes, dinitrotoluenes, toxicity (en)
|
http://linked.open.../riv/klicoveSlovo
| |
http://linked.open...odStatuVydavatele
| |
http://linked.open...ontrolniKodProRIV
| |
http://linked.open...i/riv/nazevZdroje
| - Chemické listy (IF = 0.348)
|
http://linked.open...in/vavai/riv/obor
| |
http://linked.open...ichTvurcuVysledku
| |
http://linked.open...cetTvurcuVysledku
| |
http://linked.open...UplatneniVysledku
| |
http://linked.open...v/svazekPeriodika
| |
http://linked.open...iv/tvurceVysledku
| - Friedl, Zdeněk
- Bednařík, Karel
|
http://linked.open...n/vavai/riv/zamer
| |
issn
| |
number of pages
| |
http://localhost/t...ganizacniJednotka
| |