Search Results - "Stojanović, Marija"

Substituent Effect on Triplet State Aromaticity of Benzene by Baranac-Stojanović, Marija

“…Density functional theory calculations have been performed to explore the substituent effect on benzene’s structure and aromaticity upon excitation to the…”
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Triplet-State Structures, Energies, and Antiaromaticity of BN Analogues of Benzene and Their Benzo-Fused Derivatives by Baranac-Stojanović, Marija

“…It is well known that benzene is aromatic in the ground state (the Hückel’s rule) and antiaromatic in the first triplet (T1) excited state (the Baird’s rule)…”
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Aromaticity and Stability of Azaborines by Baranac-Stojanović, Marija

“…The influence of the relative boron and nitrogen positions on aromaticity of the three isomeric 1,2‐, 1,3‐, and 1,4‐azaborines has been investigated by…”
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A DFT Study of the Modulation of the Antiaromatic and Open‐Shell Character of Dibenzo[a,f]pentalene by Employing Three Strategies: Additional Benzoannulation, BN/CC Isosterism, and Substitution by Baranac‐Stojanović, Marija

“…Dibenzo[a,f]pentalene ([a,f]DBP) is a highly antiaromatic molecule having appreciable open‐shell singlet character in its ground state. In this work, DFT…”
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Revival of Hückel Aromatic (Poly)benzenoid Subunits in Triplet State Polycyclic Aromatic Hydrocarbons by Silicon Substitution by Baranac‐Stojanović, Marija, Stojanović, Milovan, Aleksić, Jovana

“…By employing density functional theory (DFT) calculations we show that mono‐ and disilicon substitution in polycyclic aromatic hydrocarbons, having two to four…”
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Aromaticity study of singlet‐ and triplet‐state corannulene dianion and dication by Aleksić, Jovana, Stojanović, Milovan, Baranac‐Stojanović, Marija

“…Aromaticity rules in the ground singlet state and the first excited triplet state are exactly opposite, as shown by Baird. Thus, (4n + 2)π electron annulenes…”
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Synthesis of 2,3-Dihydro-4-pyridones and 4‑Pyridones by the Cyclization Reaction of Ester-Tethered Enaminones by Stojanović, Milovan, Bugarski, Slobodan, Baranac-Stojanović, Marija

“…2,3-Dihydro-4-pyridone skeleton is an important building block in organic synthesis because it features several reaction sites with nucleophilic or…”
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Analysis of Stability and (Anti)aromaticity of BN‐Dibenzo[a,e]pentalenes by Stojanović, Milovan, Baranac‐Stojanović, Marija

“…Relatively scarce literature data on BN/CC isosterism in 4nπ‐electronic systems have prompted us to investigate theoretically the influence of BN pair position…”
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4π‐Electron B–N Monocycles: Stability and (Anti)aromaticity by Baranac‐Stojanović, Marija

“…This is a theoretical (DFT) study of the impact of electronic structural changes, induced by B–N/C–C isosterism, on two basic properties of 4π‐electron…”
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Silica Gel as a Promoter of Sequential Aza‐Michael/Michael Reactions of Amines and Propiolic Esters: Solvent‐ and Metal‐Free Synthesis of Polyfunctionalized Conjugated Dienes by Aleksić, Jovana, Stojanović, Milovan, Baranac‐Stojanović, Marija

“…We present an efficient, simple, metal‐ and solvent‐free silica‐gel‐promoted synthesis of functionalized conjugated dienes by sequential aza‐Michael/Michael…”
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Aromaticity of Diazaborines and Their Protonated Forms by Stojanović, Milovan, Baranac-Stojanović, Marija

“…Substitution of a CH group in benzene with nitrogen has a little effect on its aromaticity (Wang et al., Org. Lett. 2010, 12, 4824). How does the same type of…”
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The effects of playing violent video games on children and youth by Stojanović, Marija

“…Violent video games, as a modern digital media, have attracted increasing attention of children and adolescents in recent decades, causing many detrimental…”
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Can Variations of 1 H NMR Chemical Shifts in Benzene Substituted with an Electron-Accepting (NO 2 )/Donating (NH 2 ) Group be Explained in Terms of Resonance Effects of Substituents? by Baranac-Stojanović, Marija

“…The classical textbook explanation of variations of H NMR chemical shifts in benzenes bearing an electron-donating (NH ) or an electron-withdrawing (NO ) group…”
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Can Variations of 1H NMR Chemical Shifts in Benzene Substituted with an Electron‐Accepting (NO2)/Donating (NH2) Group be Explained in Terms of Resonance Effects of Substituents? by Baranac‐Stojanović, Marija

“…The classical textbook explanation of variations of 1H NMR chemical shifts in benzenes bearing an electron‐donating (NH2) or an electron‐withdrawing (NO2)…”
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Origin of Fluorine/Sulfur Gauche Effect of β‑Fluorinated Thiol, Sulfoxide, Sulfone, and Thionium Ion by Aleksić, Jovana, Stojanović, Milovan, Baranac-Stojanović, Marija

“…The well-known gauche preference in FCCX systems, where X is an electronegative element from Period 2, is widely exploited in synthetic, medicinal, and…”
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Is the Conventional Interpretation of the Anisotropic Effects of CC Double Bonds and Aromatic Rings in NMR Spectra in Terms of the π-Electron Shielding/Deshielding Contributions Correct? by Baranac-Stojanović, Marija, Koch, Andreas, Kleinpeter, Erich

“…Based on the nucleus‐independent chemical shift (NICS) concept, isotropic magnetic shielding values have been computed along the three Cartesian axes for…”
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The sense of school belonging: Its importance for the positive development of students and prevention of behavioural problems by Stojanović, Marija, Popović-Ćitić, Branislava

“…The sense of school belonging is defined as the extent to which students feel personally accepted, respected, included and supported by others in the school…”
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Magnetic Anisotropy of the CC Single Bond by Baranac-Stojanović, Marija, Stojanović, Milovan

“…Anisotropic effects are broadly used in NMR spectroscopy for structure elucidation. With the development of computational methods it has become possible to…”
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Quantification of the Aromaticity of 2-Alkylidenethiazolines Subjected to Push–Pull Activity by Baranac-Stojanović, Marija, Kleinpeter, Erich

“…Through-space NMR shieldings (TSNMRSs) of a series of 2-alkylidenethiazolines subjected to push–pull activity have been calculated by the GIAO method employing…”
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Density Functional Calculations of the Anisotropic Effects of Borazine and 1,3,2,4-Diazadiboretidine by Baranac-Stojanović, Marija, Koch, Andreas, Kleinpeter, Erich

“…On the basis of the nucleus‐independent chemical shift (NICS) concept, the anisotropic effects of two inorganic rings, namely, borazine and planar…”
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