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| 1 | Thermobaric and enhanced blast explosives(TBX and EBX)显示文摘In this review, excerpts from the literature of thermobaric(TBX) and enhanced blast explosives(EBX) that are concentrated on studies that include their compositions, properties, reactive metal components, modeling and computations are presented. | Lemi TüRKER | 2016 | Defence Technology(防务技术)2016，12，6： | 12 |
| 2 | Azo-bridged triazoles: Green energetic materials显示文摘In this short review, excerpts from the literature of azo-bridged triazoles(mainly 1,2,4-triazoles), some of their derivatives(chloromethyl,dinitro and trinitro pyrazole substituted ones, etc.) and some of their salts, have been presented focusing on the most recent investigations. These classes of compounds, known as high nitrogen compounds, are generally high energy density materials. Therefore, if available some of their ballistic properties were included. | Lemi TüRKER | 2016 | Defence Technology(防务技术)2016，12，1： | 3 |
| 3 | Molecular dynamics and quantum chemical studies on diborane 显示文摘 | Lemi T | 2003 | J Mol Struc: Theochem2003，629，： | 1 |
| 4 | Effect of Magnesium Atom on CL-20------A DFT Treatment显示文摘The effect of magnesium atom on 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtizane(HNIW,CL-20)explosive is considered within the constraints of density functional theory at the level of B3LYP/6-31++G(d,p).The Mg atom transfers some electron population to CL-20and one of the nitro groups linked to 6-membered piperazine ring system(base)is expelled in the prenitrite form.The total Mulliken charges on the NO2group reveals that the respective nitramine bond in CL-20is the most susceptible one to impact.The calculated IR and UV-VIS spectra are investigated.The effect of Mg atom on the molecular orbital energies,especially the HOMO and LUMO has been discussed.Narrowing of the interfrontier molecular orbital energy gap(Δε)in the composite system occurs.Therefore,the composite system is more susceptible to impact compared to CL-20. | Lemi Türker | 2017 | 火炸药学报2017，40，6： | 1 |
| 5 | Factors Affecting Entry and Intensify in Informal Rental Land Markets in Southern Ethiopian Highlands 显示文摘 | Tesfaye T Lemi A | 2004 | Agricultural Economics2004，30，2： | 1 |
| 6 | A theoretical study on the simplest fullerene, C20- an AM1 treatment 显示文摘 | LEMI T | 2003 | Journal of Molecular Structure2003，625，123： | 1 |
| 7 | Nitrogen analogs of TEX-A computational study显示文摘TEX, a well-known nitramine type explosive, has been subjected to centric perturbations by replacing its etheric(acetal) oxygens with nitrogen atoms one by one. The structural features, stabilities and IR and UV-VIS spectra of new structures formed are investigated. For this purpose, density functional theory has been employed at the B3LYP/6-31G(d,p) and B3LYP/6-311G(d) levels. In general the calculations revealed that the oxygenenitrogen replacement resulted in more energetic but less sensitive structures than TEX. | Lemi TRKER | 2014 | Defence Technology(防务技术)2014，10，4： | 1 |
| 8 | Endohedrally Helium-doped CL-20:A DFT Treatment显示文摘In order to investigate whether endohedral He-doping is possible or not in CL-20,a density functional treatment has been carried out at the levels of B3LYP/6-31++G(d,p)and B3PW91/6-31++G(d,p).Some physicochemical and quantum chemical properties of the helium-doped CL-20 (He@CL-20)are compared with the respective values of the parent explosive CL-20.The helium doping caused swelling of CL-20cage but no bond rupture occurred.Doped helium acquired some positive charge. | Lemi Türker | 2018 | 火炸药学报2018，41，5： | 1 |
| 9 | Contemplation on some cyclic N_8 isomers-A DFT treatment显示文摘Various cyclic N_8 isomers are considered at the levels of B3 LYP/6-311++G(d,p) and B3 LYP/c PVTZ. Some energies and molecular orbital properties are obtained. The structures are found to be stable in the singlet state but mostly unstable in the triplet. The heats of formation values calculated by means of T1 recipe reveals that they are highly endothermic. NICS(0) values have been calculated and aromaticity/antiaromaticity of the rings are discussed. Additionally, theoretical IR,UV-VIS spectra and the calculated impulse values have been obtained. | Lemi Türker | 2018 | Defence Technology(防务技术)2018，14，1： | 1 |
| 10 | A controlled study of the effect of RU58841 a non-steroidal antiandrogen, on human hair production by balding scalp grafts maintained on testosterone conditloned nude mice显示文摘 | De Brouwer B Tetelin C Lemy T | 1997 | Br J Dermatol1997，137，5： | 1 |
| 11 | Synthesis and laser activity of halo-aeridinedione derivatives显示文摘 | Muharrem K Ylmaz Y Lemi T | 2009 | J Hetero- eyelie Chem2009，46，： | 1 |
| 12 | Inci eroglu effects of membrane electrode assembly components on proton exchange membrane fuel cell performance显示文摘 | BAYRAKCEKENA A S SERDAR E LEMI T | 2008 | International Journal of Hydrogen Energy2008，33，1： | 1 |
| 13 | Structurally modified RDX-A DFT study显示文摘RDX is a nitramine type explosive which is widely employed in military and industrial applications. A hot topic in military area is lowering the sensitivity of explosives. Along this direction, one approach, which is still being applied, is to use coatings or additives for explosives, as in the example of i-RDX(reduced sensitivity RDX). Another attitude would be to make some slight molecular level chemical modifications in the explosive structure that cause a diminished sensitivity without substantial loss in explosive impact. RDX has three nitro groups. We assumed that by the conversion of these nitro groups to nitroso and amino groups, it might be possible to lower the sensitivity somewhat. We have correlated the bond dissociation energies with impact sensitivity. Additionally, the ballistic properties, i.e. detonation velocity(D), and detonation pressure(P) have been examined by using Kamlet-Jacobs equations. We have shown that the above mentioned molecular modifications are a successful way of lowering the sensitivity of RDX. | Lemi Türker Serhat Varis | 2017 | Defence Technology(防务技术)2017，13，6： | 1 |
| 14 | Interaction of 1,3,3-Trinitroazetidine(TNAZ)and Zinc——A DFT Treatise显示文摘In order to investigate whether zinc atom is compatible with 1, 3, 3-trinitroazetidine(TNAZ) structure, TNAZ+Zn and 2 TNAZ+Zn composite systems have been considered within the constraints of density functional theory at the level of B3 LYP/6-31++G(d,p) and ωB97 X-D/6-31++G(D,P). In the case of TNAZ+Zn composite the both level of calculations resulted that one of the C-NO2 bonds of TNAZ undergoes bond cleavage. However, as the zinc content decreases by increasing the TNAZ content, C-NO2 bond elongation considerably decreases, although it is still longer than the similar bonds in 2 TNAZ+Zn composite in which zinc, by weight, is 7.14%. In all the cases the zinc atom acquires positive charge. The results indicate that the interfrontier molecular orbital energy gaps(HOMO-LUMO energy difference) of the composites decrease as the zinc content decreases. | Lemi Türker | 2020 | 火炸药学报2020，43，5： | 0 |
| 15 | RDX-Aluminum Interaction——A DFT Study显示文摘Within the constraints of density functional theory(UB3LYP/6-311++G(d,p)),RDX/Al and RDX/2Al composites are investigated,considering various multiplicity states(singlet and triplet states).Depending on the localization of Al atom(s)in space and multiplicity of the composite systems,the structure of RDX undergoes various degrees of perturbations.It has been shown that the presence of Al atoms affects the bond lengths,electron population as well as the HOMO and LUMO energies and the inter frontier molecular orbital energy gap of RDX.All these perturbations are thought to affect ballistic properties of the explosive molecule RDX. | Lemi Türker | 2016 | 火炸药学报2016，39，4： | 0 |
| 16 | Effect of magnesium on FOX-7 and its tautomers-A DFT treatment显示文摘FOX-7 and its cisoid and transoid 1,5-tautomers as well as magnesium composites of all have been investigated quantum chemically within the restrictions of density functional theory(B3 LYP/6 e311ttG(d,p)). Certain physico-chemical and quantum chemical properties, energies, stabilities,calculated IR and UV-VIS spectra are discussed. The influence of magnesium atom is investigated. It has been found that in FOX-7 composites the magnesium is not a silent ingredient, but interacts with the organic constituents. | Lemi Türker | 2018 | Defence Technology(防务技术)2018，14，3： | 0 |
| 17 | Effect of Aluminum on FOX-7 Structure显示文摘The effect of aluminum on FOX-7 structure was considered. Density functional approach at the level of unrestricted B3LYP/6-311++G(d,p) level was adopted. The model considered 1-4 aluminum atoms per FOX-7 molecule. The results show that the molecular geometries as well as many molecular orbital characteristics of FOX-7 molecule are subjected multiplicity of the composites, FOX-7 + n Al ( n =1-4). In the case of n =1-2, some conformational changes occur. In the presence of three aluminum atoms, the quartet state of the composite is stable but in the doublet state, one of the N—O bonds ruptures. As for the n =4 case the singlet and triplet states are stable but in the quintet state one of the N—O bonds cleaves. As the number of aluminum atoms increases, the HOMO-LUMO energy gap decreases generally. | Lemi Türker | 2019 | 火炸药学报2019，42，3： | 0 |
| 18 | A DFT study on TNGU isomers and aluminized cis-TNGU composites显示文摘Cis-and trans-1,3,4,6-tetranitroglycouril(TNGU, Sorguyl) have been considered for density functional treatment at the levels of B3LYP/6-31 G(d,p) and B3LYP/cc-PVDZ. Cis-TNGU has been found to be more stable than its trans isomer. Then, mono and dialuminized(cis-TNGU + Al and cis-TNGU+2Al) have been subjected to theoretical treatment at the level of B3LYP/6-31 + G(d). The spin states of the aluminized cis-TNGU composites have been considered as well. Although, cis-TNGU + Al(doublet) is found to be structurally stable, cis-TNGU+2Al singlet and triplet composites undergo certain bond cleavages.Structural and some quantum chemical properties, IR-UV spectra etc. have been presented. | Lemi Trker | 2018 | Defence Technology(防务技术)2018，14，2： | 0 |
| 19 | Interaction of TATB with Cu and Cu^(+1). A DFT study显示文摘Symmetric triaminotrinitrobenzene known as TATB decomposes in contact with some heavy metals,such as copper. Presently, TATB and some of its important tautomers are subjected to B3LYP/6-31G(d,p) level of treatment. Some molecular orbital energies have been obtained and compared. Then. interaction of these species with Cu and Cu^+ are investigated. Although TATB has been found to be affected little by either Cu or Cu^+, undergoing only some bond length changes and/or distortions, the resonance-assisted tautomers having one to three aci groups decompose by the influence of Cu atom. In each case, only one N-OH bond rupture occurs. | Lemi Türker | 2019 | Defence Technology(防务技术)2019，15，1： | 0 |
| 20 | Quire Interaction of Certain Nitramine Type Explosives with Proton--A DFT Study显示文摘The composites of certain nitramine type explosives,TETRYL,RDX and EDNA,with proton in vacuum have been considered within the constraints of density functional theory at the level of B3LYP/6-31++G(d,p)(restricted and unrestricted).The results indicate that unexpectedly hydrogen molecule production occurs by the interaction of proton and a hydrogen of CH3(TETRYL)and CH2(RDX and EDNA)groups.As a result,a carbocation is generated on the explosive molecules.Thereafter,TETRYL which potentially has many protonation sites were investigated in more detail in vacuum and aqueous conditions.The data reveals that the composite system(TETRYL+proton)is less stable than TETRYL protonated on nitramine NH or oxygen of the nitro groups. | Lemi Türker | 2017 | 火炸药学报2017，40，1： | 0 |
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