Zobrazeno 1 - 10
of 27
pro vyhledávání: '"Bojana D. Ostojić"'
Publikováno v:
Physical Chemistry Chemical Physics
CO2 capture, conversion and storage belong to the holy grail of environmental science. We therefore explore an important photochemical hydride transfer reaction of benzimidazoline derivatives with CO2 in a polar solvent (dimethylsulfoxide) by quantum
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b703300388821bc4745b95b6cb68390c
https://doi.org/10.1039/d2cp02867k
https://doi.org/10.1039/d2cp02867k
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(34)
CO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::0b85e95fe5efe468c683ea5ca9ba4795
https://pubmed.ncbi.nlm.nih.gov/35980288
https://pubmed.ncbi.nlm.nih.gov/35980288
Autor:
Dragana Đorđević, Bojana D. Ostojić
Publikováno v:
Journal of the Serbian Chemical Society, Vol 84, Iss 8, Pp 861-876 (2019)
The molecular properties of the environmental mutagens nitrofluoranthenes (NFs; 1-, 2-, 3-, 7- and 8-NF), such as (hyper)polarizability, dipole moment, molecular electrostatic potential (MEP), spectroscopic characteristics, magnetic index (NICS) and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f35895df4c6f48bdb03db45cf03edd91
http://www.doiserbia.nb.rs/img/doi/0352-5139/2019/0352-51391900045O.pdf
http://www.doiserbia.nb.rs/img/doi/0352-5139/2019/0352-51391900045O.pdf
Autor:
Bojana D. Ostojić, Dragana Đorđević
Publikováno v:
Current Organic Chemistry
This manuscript gives a summary of photoinduced processes in several Nitropolycyclic Aromatic Hydrocarbons (NPAHs) (nitronaphthalene, nitrofluorene, nitroanthracene, and nitropyrene) as well as the results of the TD-DFT calculations of the excited st
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0cc0e7c96812c428da3837ffc0afac9a
https://doi.org/10.2174/1385272821666171116161755
https://doi.org/10.2174/1385272821666171116161755
Publikováno v:
Journal of Geochemical Exploration
In an attempt to evaluate the toxicological condition of the most important river and artificial lakes in Serbia, 52 grab-samples were collected from different locations. Sediment samples were analyzed for PCBs (PCB 28, PCB 52, PCB 101, PCB 138, PCB
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ecf3b57fbb4dc63702c36607dc3d3a33
https://doi.org/10.1016/j.gexplo.2017.06.008
https://doi.org/10.1016/j.gexplo.2017.06.008
Publikováno v:
Journal of Inorganic Biochemistry. 206:111049
The potential energy surfaces of the H2S binding to iron-porphyrin (FeP) with the imidazole (Im) ligand via intersystem crossings are investigated by using density functional theory. The minimum energy intersystem crossing point (MEISCP) between the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::824da139e91859db1665d5457c41f4b2
https://doi.org/10.1016/j.jinorgbio.2020.111049
https://doi.org/10.1016/j.jinorgbio.2020.111049
Publikováno v:
Crystal Growth and Design
Crystal Growth & Design
Crystal Growth & Design
Statistical analysis of data extracted from the Cambridge Structural Database (CSD) has been used to investigate the crystal structure properties of odialkoxybenzene derivatives, compounds containing two ether oxygen acceptors in ortho positions of b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a3f0e7f6c62ca50ef485f3935296b015
https://vinar.vin.bg.ac.rs/handle/123456789/9896
https://vinar.vin.bg.ac.rs/handle/123456789/9896
Publikováno v:
Journal of Inorganic Biochemistry
The binding of hydrogen sulfide to a model heme compound is investigated by coupled-cluster singles-doubles augmented by a perturbative triple excitations, CCSD(T), and density functional theory, DFT. The minimum energy path for the H2S addition to a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f0797a6dd7a0aceb94369b3ae7e04ace
https://cer.ihtm.bg.ac.rs/bitstream/id/19299/acc_j.jinorgbio.2018.04.012.pdf
https://cer.ihtm.bg.ac.rs/bitstream/id/19299/acc_j.jinorgbio.2018.04.012.pdf
Autor:
Bojana M. Francuski, Bojana D. Ostojić, Goran A. Bogdanović, Djordje Francuski, Sladjana B. Novaković
Publikováno v:
Computational and Theoretical Chemistry
Theoretical charge density analysis of the thioureido based compound 4-methyl-3-thiosemicarbazide (MeTSC) is used in this study with the aim to provide additional insight into electronic features of the thioureido sulfur acceptor and the correspondin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::17a75ca80fe15930326c58efc6867130
https://doi.org/10.1016/j.comptc.2015.05.024
https://doi.org/10.1016/j.comptc.2015.05.024
Autor:
Dragana Đorđević, Bojana D. Ostojić
Publikováno v:
Journal of Hazardous Materials
The equilibrium geometries, relative energies, IR and Raman spectra, vertical ionization potentials (IP), vertical electron affinities (EA), dipole moments (μ), electronic dipole polarizabilities (α), and molecular electrostatic potentials (MEP) of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::06e2a477a1ecf3bfa175e98dad2feb7f
https://doi.org/10.1016/j.jhazmat.2014.11.032
https://doi.org/10.1016/j.jhazmat.2014.11.032