Search Results - "TUeRKER, LEMI"
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On the Possibility of Endohedrally Helium‐doped TEX – A DFT Treatment
Published in Zeitschrift für anorganische und allgemeine Chemie (1950) (02-10-2018)“…TEX is a caged, nitramine type explosive material. To envisage the response of its bonds against stretching, an inert atom, helium, is doped into interior…”
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2
Azo-bridged triazoles: Green energetic materials
Published in Defence Technology(防务技术) (01-02-2016)“…In this short review, excerpts from the literature of azo-bridged triazoles (mainly 1,2,4-triazoles), some of their derivatives (chloromethyl,dinitro and…”
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3
Directional Interactions of α-Particles with FOX-7. A DFT Study
Published in Propellants, explosives, pyrotechnics (01-04-2015)“…FOX‐7 is exposed to the effects of α‐particles from selected directions of approach. Various energies and properties of these composite FOX‐7 systems…”
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4
Interaction of TATB with Cu and Cu+1. A DFT study
Published in Defence technology (01-02-2019)“…Symmetric triaminotrinitrobenzene known as TATB decomposes in contact with some heavy metals, such as copper. Presently, TATB and some of its important…”
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5
Hydrogen storage capability of Se@C 120 system
Published in International journal of hydrogen energy (01-08-2007)“…A single-walled, capped and selenium doped, carbon nanotube, Se@C 120, was doped endohedrally with hydrogen molecules to obtain a series of ( n H 2 + Se ) @ C…”
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6
JP-900 Hydroperoxidation and Decomposition
Published in Propellants, explosives, pyrotechnics (01-04-2014)“…JP‐900 (C10H18) is a bicyclic, high‐energy‐density fuel being employed in aircrafts. In recent years, inspection of fuels refined by different processes has…”
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7
A theoretical study of JP-10 hydroperoxidation
Published in Fuel (Guildford) (01-02-2013)“…[Display omitted] JP-10 (C10H16) is one of cyclic, high-energy-density fuels being used in aircrafts. This single component fuel takes the advantage of…”
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8
On the Possibility of Autoxidation of TEX - A DFT Study
Published in Propellants, explosives, pyrotechnics (01-02-2015)“…TEX is an explosive with interesting isowurtzitane cage structure. It exhibits successful explosion performance and good sensitivity. Herein, the tendency of…”
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9
A Possible Complex between TNT and Epinephrine - A DFT Study
Published in Zeitschrift für anorganische und allgemeine Chemie (1950) (01-02-2014)“…The interaction between TNT and a vitally significant biological molecule, epinephrine, was investigated at the level of density functional theory. Two models…”
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10
Density functional theory calculations for [C sub(2)H sub(4)N sub(2)O sub(6)] super((n)) (n = 0, +1, -1)
Published in Journal of hazardous materials (01-08-2006)“…The structural and electronic properties of neutral and mono ionic structures of isolated ethylene glycol dinitrate (EGDN) [C sub(2)H sub(4)N sub(2)O sub(6)]…”
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11
Synthesis and laser activity of halo-acridinedione derivatives
Published in Journal of heterocyclic chemistry (01-03-2009)“…Synthesis of 10‐(halophenyl)‐9‐(4‐methoxyphenyl)‐3,4,6,7,9,10‐hexahydroacridine‐1,8‐(2H,5H)‐dione derivates have been prepared and their absorption, emission,…”
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12
A COMPUTATIONAL STUDY ON SOME SELENIUM-CONTAINING NAPHTHALENE DERIVATIVES
Published in Polycyclic aromatic compounds (30-11-2009)“…A quantum chemical study, based on DFT theory is presented which considers certain selenium-containing naphthalene derivatives, including a keto group together…”
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13
A REVIEW OF POLYCYCLIC AROMATIC ENERGETIC MATERIALS
Published in Polycyclic aromatic compounds (23-07-2009)“…Explosives are employed extensively not only in military areas but also in civilian applications. There are many researchers working on the discovery of…”
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14
Spectrophotometric and chromatographic determination of insensitive energetic materials: HNS and NTO, in the presence of sensitive nitro-explosives
Published in Talanta (Oxford) (15-02-2012)“…► Two new spectrophotometric methods for insensitive energetic materials were found. ► HNS and NTO were determined (LOQ<1mgL−1) in presence of other…”
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15
Pt-based electrocatalysts for polymer electrolyte membrane fuel cells prepared by supercritical deposition technique
Published in Journal of power sources (01-05-2008)“…Pt-based electrocatalysts were prepared on different carbon supports which are multiwall carbon nanotubes (MWCNTs), Vulcan XC 72R (VXR) and black pearl 2000…”
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16
A theoretical study on vomitoxin and its tautomers
Published in Journal of hazardous materials (15-04-2009)“…In the present work, the structural and electronic properties of vomitoxin (deoxynivalenol, a mycotoxin) and all of its possible tautomers have been…”
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17
Computational studies on nitratoethylnitramine (NENA), its tautomers and charged forms
Published in Journal of hazardous materials (15-02-2009)“…An energetic material, nitratoethylnitramine (NENA), its tautomers and also its charged forms are considered quantum chemically, using various basis sets at…”
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18
Improvement of carbon dioxide tolerance of PEMFC electrocatalyst by using microwave irradiation technique
Published in International journal of hydrogen energy (2008)“…The microwave irradiation technique was used to prepare platinum and platinum–ruthenium-based electrocatalysts on Vulcan for PEMFCs. The effects of microwave…”
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19
Hexamethylenetetramine Dinitrate (HDN): The Precursor for RDX Production by Bachmann Process
Published in Propellants, explosives, pyrotechnics (01-10-2013)“…Hexamethylenetetramine dinitrate (HDN) is a rather weak explosive but is used as a precursor for the synthesis of RDX, one of the most important secondary…”
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Isomeric Structures of Furoxan-Fused [2,2]paracyclophane-A DFT Study
Published in Polycyclic aromatic compounds (01-08-2012)“…The present study theoretically deals with furoxan-fused [2,2]paracyclophane systems and some structures possibly involved in their isomerization processes…”
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