Buscar
Tuning intraband and interband transition rates via excitonic correlation in low-dimensional semiconductors
(ACS Publications, 2018-08)
We show that electron-hole correlation can be used to tune interband and intra-
band optical transition rates in semiconductor nanostructures with at least one weakly
confined direction. The valence-to-conduction band ...
Computational design of an amidase by combining the best electrostatic features of two promiscuous hydrolases
(The Royal Society of Chemistry, 2022-03-15)
While there has been emerging interest in designing new enzymes to solve practical challenges, computer-based options to redesign catalytically active proteins are rather limited. Here, a rational QM/MM molecular dynamics ...
Direct preparation of standard functional interfaces in oxide heterostructures for 2DEG analysis through beam-induced platinum contacts
(AIP Publishing, 2018-09-24)
Two-dimensional electron gas (2DEG) in SrTiO3/LaAlO3 heterostructures has been extensively studied in the last few years; however, little attention has been given to a practical way to contact electrically the low dimensional ...
Critical evaluation of anharmonicity and configurational averaging in QM/MM modelling of equilibrium isotope effects
(Royal Society of Chemistry, 2020)
Anharmonic effects upon vibrational frequencies and isotopic partition function ratios are modelled
computationally by means of quantum mechanics/molecular mechanics (QM/MM) methods for two systems.
First, the methyl ...
A survey based on the use of imidacloprid on green leafy vegetables in remotely located Sagar, India
(National Institute of Science Communication and Information Resources, 2022-02)
The low literacy level of the vegetable growers in the selected region of India is responsible for the use of highly toxic
organophosphate pesticides on green leafy vegetables. Although in the Indian market imidacloprid ...
Surfactant-Mediated Morphology and Photocatalytic Activity of α‑Ag2WO4 Material
(American Chemical Society, 2018-03)
In the present work, the morphology (hexagonal rod-like vs cuboid-like) of an α-Ag2WO4 solid-state material is manipulated by a simple controlled-precipitation method, with and without the presence of the anionic surfactant ...
An easy and green assay to determine albendazole and ivermectin in veterinary preparations by micellar liquid chromatography
(Wiley, 2023-01-25)
A procedure to determine albendazole and ivermectin in veterinary formulations, like tablet, bolus, oral suspensions, and injections by micellar liquid chromatography, has been developed. Sample preparation was a batch ...
Describing the molecular mechanism of organic reactions by using topological analysis of electronic localization function
(Bentham Science Publishers, 2011)
Here, we provide an essay on the analysis of the reaction mechanism at the molecular level; in particular, the evolution of the electron pair, as it is provided by the ELF, is used to decribe the reaction pathway. Then, ...
Application of micellar liquid chromatographic method for rapid screening of ceftriaxone, metronidazole, amoxicillin, amikacin and ciprofloxacin in hospital wastewater from Sagar District, India
(Elsevier, 2022-06)
The present research work mainly highlights the simultaneous detection of five antibiotics i.e., ceftriaxone (CTX),
metronidazole (MTZ), amoxicillin (AMX), amikacin (AMK) and ciprofloxacin (CPFX) in hospital wastewater
located ...
Topological magnetoelectric effect in semiconductor nanostructures: Quantum wells, wires, dots, and rings
(American Physical Society, 2023)
Electrostatic charges placed near the interface between ordinary and topological insulators induce magnetic fields through the so-called topological magnetoelectric effect. Here we present a numerical implementation of the ...