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Утицај халогеног везивања на осетљивост ка детонацији високоенергетских молекула / Influence of halogen bonding on the sensitivity of high-energy molecules towards detonation
(Српско кристалографско друштво, 2021)
Предвиђање особина високоенергетских једињења помоћу метода Теорије функционала
густине (DFT) је циљ великог броја теоријских студија [1]. Један од најзначајнијих алата за
предвиђање осетљивости високоенергетских молекула ...
Can the sensitivity of energetic materials be tuned by using hydrogen bonds? Another look at the role of hydrogen bonding in the design of high energetic compounds
(Physical Chemistry Chemical PhysicsPhysical Chemistry Chemical PhysicsPhys. Chem. Chem. Phys., 2021)
Strongly positive electrostatic potential in the central areas of molecules of energetic materials is one of the most important factors that determines the sensitivity of these molecules towards detonation. Quantum chemical ...
Supplementary data for the article: Kretić, D. S.; Radovanović, J. I.; Veljković, D. Ž. Can the Sensitivity of Energetic Materials Be Tuned by Using Hydrogen Bonds? Another Look at the Role of Hydrogen Bonding in the Design of High Energetic Compounds. Phys. Chem. Chem. Phys. 2021, 23 (12), 7472–7479. https://doi.org/10.1039/D1CP00189B.
(Physical Chemistry Chemical Physics, 2021)
Theoretical study of the relationship between molecular geometry and strength of hydrogen bonds in acetylsalicylic acid
(Belgrade : Serbian Chemical Society, 2023)
Acetylsalicylic acid is a pharmaceutical drug well-known for its anti-inflammatory and
antipyretic effects, and it is commonly used for the treatment of pain and fever caused
by different diseases.[1] However, it is well ...
Strong hydrogen bonds involving carbon atom as hydrogen atom acceptor
(Belgrade : Serbian Crystallographic Society, 2023)
Pyramidane (tetracyclo[2.1.0.01,3.02,5]pentane, C5H4) and its derivates fall into the class of high-energy molecules with nonclasicall cage geometries [1]. Althoug pyrmidane itself has not been synthetized yet, cage molecules ...
Influence of the presence of halogen substituents on high-energy properties of nitroaromatic molecules
(8th Conference of Young Chemists of Serbia, Belgrade, Serbia, 29th October, 2022. In: Book of Abstracts, 2022)
Sensitivity towards detonation of high energetic materials (HEMs) and the positive
potential in the central regions of their molecular surfaces are directly related. The
presence of halogen atoms in HEMs creates the ...
The chelate complexes as an improved high-energy compounds
(8th Conference of Young Chemists of Serbia, Belgrade, Serbia, 29th October, 2022. In: Book of Abstracts, 2022)
Recent studies in high-energy material design revealed that coordination compounds
show excellent detonation performances. Earlier experimental studies found that the
nitro-acetylacеtonato aluminum (III) complex easily ...
Tris-(nitroacetylacetonato) complexes as new high-energy materials
(Twentieth Young Researchers Conference – Materials Science and Engineering, 2022)
Recent advances in high-energy materials studies have shown that coordination compounds
are promising energetic compounds with satisfactory detonation properties and moderate
sensitivity. Earlier experimental studies ...
Nitro-acetylacetonato complexes as a new class of highly energetic materials: synthesis, characterization and quantum chemical studies
(58th Meeting of the Serbian Chemical Society, Belgrade, Serbia, 9th-10th June, 2022. In: Book of Abstracts and Proceedings, 2022)
Chelate coordination compounds represent a new class of promising highly energetic
materials with improved performance and stability. In this work, we used quantum
chemical calculations to predict detonation characteristics ...
Role of halogen substituents in the design of halogen-containing high energy materials
(Twentieth Young Researchers Conference – Materials Science and Engineering, 2022)
It is known that halogen interactions can be a tool for modifying the potential above the
central regions of the molecular surfaces of halogen-substituted high-energy molecules
(HEMs), which is directly related to the ...