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Ministry points: Help
| Year | Points | List |
|---|---|---|
| Year 2024 | 40 | Ministry scored journals list 2024 |
| Year | Points | List |
|---|---|---|
| 2024 | 40 | Ministry scored journals list 2024 |
| 2023 | 40 | Ministry Scored Journals List |
| 2022 | 40 | Ministry Scored Journals List 2019-2022 |
| 2021 | 40 | Ministry Scored Journals List 2019-2022 |
| 2020 | 40 | Ministry Scored Journals List 2019-2022 |
| 2019 | 40 | Ministry Scored Journals List 2019-2022 |
| 2018 | 25 | A |
| 2017 | 25 | A |
| 2016 | 20 | A |
| 2015 | 20 | A |
| 2014 | 25 | A |
| 2013 | 25 | A |
| 2012 | 25 | A |
| 2011 | 25 | A |
| 2010 | 32 | A |
Model:
Points CiteScore:
| Year | Points |
|---|---|
| Year 2023 | 3.5 |
| Year | Points |
|---|---|
| 2023 | 3.5 |
| 2022 | 3.3 |
| 2021 | 2.9 |
| 2020 | 2.5 |
| 2019 | 2.2 |
| 2018 | 2.2 |
| 2017 | 2.3 |
| 2016 | 3 |
| 2015 | 3.2 |
| 2014 | 2.9 |
| 2013 | 2.7 |
| 2012 | 2.3 |
| 2011 | 2.4 |
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Papers published in journal
Filters
total: 19
Catalog Journals
Year 2023
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A first-principles study of electronic and magnetic properties of 4d transition metals doped in Wurtzite GaN for spintronics applications
PublicationWe studied the electronic and magnetic properties of wurtzite GaN (w-GaN) doped with different concentrations of the 4d transition metal ions Nb, Mo, and Ru. We incorporated spin-polarized plane-wave density functional theory within an ultrasoft pseudopotential formalism. The 4d transition metals were doped at different geometrical sites to determine the geometry with the lowest total energy and the one that induced the largest...
Year 2022
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Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding
PublicationIn this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl molecule. Density functional theory and time dependent-density functional theory have been employed for computing geometric and photovoltaic parameters of the designed molecules....
Year 2019
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Functionalization of the transition metal oxides FeO, CoO, and NiO with alkali metal atoms decreases their ionization potentials by 3–5 eV
Publication -
Molecular dynamics of fentanyl bound to μ-opioid receptor
Publication
Year 2017
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Polymerization of chloro-p-xylylenes, quantum-chemical study
PublicationThe p-xylylene monomers of parylene N, C and D have similar high polymerization reactivity. For effective copolymerization processes this fact is basically a draw- back and for instance the copolymerization with styrene doesn't go at all (Corley et al. J Pol Sc 13(68):137156, 1954). Substitution of terminal hydrogen atoms by chlorine atoms reduces reactivity dramatically. 7,7,8,8-tetrachloro-p- xylylene and 2,5,7,7,8,8-hexachloro-p-xylylene...
Year 2016
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Attaching an alkali metal atom to an alkaline earth metal oxide (BeO, MgO, or CaO) yields a triatomic metal oxide with reduced ionization potential and redirected polarity
Publication -
Exploring the cocrystallization potential of urea and benzamide
PublicationThe cocrystallization landscape of benzamide and urea interacting with aliphatic and aromatic carboxylic acids was studied both experimentally and theoretically. Ten new cocrystals of benzamide were synthesized using an oriented samples approach via a fast dropped evaporation technique. Information about types of known bi-component cocrystals augmented with knowledge of simple binary eutectic mixtures was used for the analysis...
Year 2015
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On the origin of surface imposed anisotropic growth of salicylic and acetylsalicylic acids crystals during droplet evaporation
PublicationIn this paper droplet evaporative crystallization of salicylic acid (SA) and acetylsalicylic acid (ASA) crystals on different surfaces, such as glass, polyvinyl alcohol (PVA), and paraffin was studied. The obtained crystals were analyzed using powder X-ray diffraction (PXRD) technique. In order to better understand the effect of the surface on evaporative crystallization, crystals deposited on glass were scraped off. Moreover,...
Year 2014
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A unified coarse-grained model of biological macromolecules based on mean-field multipole–multipole interactions
Publication -
Computational studies of intermolecular interactions in aqueous solutions of poly(vinylmethylether)
Publication
Year 2011
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Instability of 2,2-di(pyridin-2-yl)acetic acid. Tautomerization versus decarboxylation
Publication -
Long range molecular dynamics study of regulation of eukaryotic glucosamine-6-phosphate synthase activity by UDP-GlcNAc
PublicationGlucosamine-6-phosphate (GlcN-6-P) synthase catalyses the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5' diphospho N-acetyl-D-glucosamine (UDPGlcNAc), is an essential substrate for assembly of bacterialand fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which makes it a potential target...
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Molecular dynamics simulations of the growth of poly (chloro-para-xylylene) films.
PublicationParylene C, poly(chloro-para-xylylene) is the most widely used member of the parylene family due to its excellent chemical and physical properties. In this work we analyzed the formation of the parylene C film using molecular mechanics and molecular dynamics methods. A five unit chain is necessary to create a stable hydrophobic cluster and to adhere to a covered surface. Two scenarios were deemed to take place. The obtained results...
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Molecular dynamics simulations of the growth of poly(chloro-para-xylylene) films
Publication
Year 2005
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A hypothesis for GPCR activation
Publication
Year 2003
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Ab initio study of phenyl benzoate: structure, conformational analysis, dipole moment, IR and Raman vibrational spectra
Publication -
Molecular dynamics study of 4-OH-phenylacetyl- D -Y(Me)FQNRPR-NH 2 selectivity to V1a receptor
Publication
Year 2002
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Binding free energy of selected anticancer compounds to DNA - theoreticalcalculations
PublicationPraca dotyczy swobodnej energii wiązania z DNA trzech związków o działaniu przeciwnowotworowym (mitoksantronu i dwóch pochodnych pirymidoakrydyny). Obliczenia wykorzystywały metody Poissona-Boltzmanna (udział elektrostatyczny) i metody SASA (udział nieelektrostatyczny). W wyniku badań zaproponowano struktury kompleksów jakie tworzą badane ligandy z DNA.
Year 1995
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