Research
Research
Research
Research
7+ open-access research outputs.
The frozen-density embedding (FDE) scheme [Wesolowski and Warshel, J. Phys. Chem. 97, 8050 (1993)] relies on the use of approximations for the kinetic-energy component v(T)[rho(1),rho(2)] of the embed…
Spin-echo small angle neutron scattering (SESANS) provides a new experimental tool for structural investigation. Due to the action of spin-echo encoding, SESANS measures a spatial correlation function…
Oxidative modification of phospholipids generates a variety of oxidized phospholipid (Ox-PL) species which differ considerably in their chemical compositions and molecular structures. Recent results s…
Sulfidation is considered as a natural antidote to toxicity of metallic nanoparticles (NPs). The detoxification contribution from sulfidation, however, may vary depending on sulfidation mechanisms. He…
As a starting point for our calculation of 3-methyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole we used the XRD data obtained by C. Liu, Z. Wang, H. Xiao, Y. Lan, X. Li, S. Wang, Jie Tang, Z. Chen, J. Chem.…
Synthesis of highly efficient antibacterial agents has become highly important due to emergence of antibiotic resistance. Herein, Pristine ZnO and ZnO-CuO nanocomposite has been synthesized by simple …
The Leuven isoprene mechanism, proposed earlier to aid in rationalizing the unexpectedly high hydroxyl radical (OH) concentrations in isoprene-rich, low-nitric-oxide (NO) regions ( Peeters ; et al. Ph…
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