Search
Now showing items 1-9 of 9
Zeeman splitting, Zeeman transitions and optical absorption of an electron confined in spherical quantum dots under the magnetic field
(2021)
In this study, we present a detailed theoretical investigation of the effect of an externally applied magnetic field on the energy states , , and in the spherical quantum dot with finite and infinite confinement potentials. ...
Effects of intense laser field and position dependent effective mass in Razavy quantum wells and quantum dots
(2021)
Using the effective mass and parabolic band approximations, we investigated the position-dependent effective
mass and non-resonant intense laser field effects on the first and third-order corrections of the absorption ...
Activity analysis of new N-heterocyclic carbenes and silver N-heterocyclic carbene molecules against novel coronavirus by UV-vis, fluorescence spectroscopy and molecular docking
(2021)
The biggest pandemic that this generation has experienced is still
continuing. While researchers concentrated on vaccine studies,
development of treatment procedures and anti-viral drugs are
other important parts of ...
PEPPSI complexes as potential prodrugs: enzyme inhibition, antioxidant activity, electrochemical characterization, molecular docking analysis
(2021)
In this study, enzyme inhibition and antioxidant
activity analyzes of previously characterized
pyridine-enhanced precatalyst preparation stabilization
and initiation (PEPPSI)-type Palladium(II) complexes
with ...
Synthesis, characterization, antimicrobial and antibiofilm activity, and molecular docking analysis of NHC precursors and their Ag-NHC complexes
(2021)
Microorganisms attach to surfaces and interfaces and form biofilms which create a sheltered area for host
cell response. Therefore, biofilms provide troubles in fields such as medicine, food, and pharmaceuticals.
Inhibition ...
Synthesis, in vitro anticancer activities, and quantum chemical investigations on 1,3-bis-(2-methyl-2-propenyl)benzimidazolium chloride and its Ag(I) complex
(2021)
1,3-Bis-(2-methyl-2-propenyl)benzimidazolium chloride and its Ag(I) complex are synthesized and the structures are
elucidated using spectroscopies techniques. The molecular and crystal structures of the benzimidazolium ...
PEPPSI type complexes: Synthesis, x-ray structures, spectral studies, molecular docking and theoretical investigations
(2021)
In this work, three novel potent benzimidazolium-derived PEPPSI type palladium complexes, namely
dichloro[1-allyl-3-benzylbenzimidazole-2-ylidene]pyridine palladium(II) (1), dichloro[1-allyl-3-(1-
naphthylmethyl)benzim ...
Pd-PEPPSI: X-ray Structure, Spectroscopic Analyses, and Quantum Mechanical Studies
(2021)
Pyridine enhanced precatalyst preparation stabilization and initiation (PEPPSI) complexes contain
two halides, an unstable pyridine derivative and a bulky N-heterocyclic carbene (NHC) ligand. In this
study, a new ...
Theoretical computation of normalised radii, density and global hardness as a function of orbital exponent
(Springer International Publishing, 21 Februar)
The recent work has an aim to establish a pivotal role of orbital exponent in the
normalized atomic radii, atomic density and atomic hardness. These three periodic
descriptors help to understand the real scenario of an ...