Başlık için Fizik Bölümü Koleksiyonu listeleme
Toplam kayıt 40, listelenen: 31-40
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The role of atomistic processes in growth of Cu–Ni metallic/bimetallic nanoparticles
(Elsevier B.V., 2023)Controlling the morphology of non-noble bimetallic nanocrystals can provide an excellent opportunity to improve performance and activity in catalytic reactions. Although several studies have focused on the overall macroscopic ... -
A simple method to determine high-accuracy refractive indices of liquid crystals and the temperature behavior of the related optical parameters via high-resolution birefringence data
(Elsevier, 2014)We report new high-resolution experimental data for the optical birefringence over the temperature range spanning the nematic (N) and smectic A (Sm A) phases of various liquid crystals (LCs) by means of a rotating-analyzer ... -
Static and dynamic structure of monomers, dimers and trimers of HgCl2 from density-functional calculations
(Springer, 2012)We report relativistic density-functional calculations for the equilibrium structures and the vibrational frequencies of the (HgCl2)(n) molecules with n = 1 to 3, as part of a broad exploration of the potential energy ... -
Structural characterization, solvent effects on nuclear magnetic shielding tensors, experimental and theoretical DFT studies on the vibrational and NMR spectra of 3-(acrylamido)phenylboronic acid
(Elsevier, 2015)Structural elucidation of 3-(acrylamido)phenylboronic acid (C9H10BNO3) was carried out with 1H, 13C and HETCOR NMR techniques. Solvent effects on nuclear magnetic shielding tensors were examined with deuterated dimethyl ... -
Structure and Raman Spectra in Cryolitic Melts: Simulations with an ab Initio Interaction Potential
(Amer Chemical Soc, 2014)The Raman spectra of cryolitic melts have been calculated from molecular dynamics computer simulations using a polarizable ionic potential obtained by force-fitting to ab initio electronic structure calculations. Simulations ... -
Structure of trimers of group-2B metal dihalides from relativistic density-functional calculations
(Taylor & Francis Ltd, 2015)We report density-functional calculations, carried out in a quantum-chemical approach using localised-Gaussians expansions of the Kohn-Sham orbitals, for metal dihalides trimers (MX2)(3), where X=Cl, Br, or I and M=Zn, Cd, ... -
Study of Film Formation From PS Latex/TiO2 Nanocomposites; Effect of Latex Size and TiO2 Content
(Wiley, 2014)In this work, we investigated the film formation from polystyrene (PS) latex/TiO2 nanocomposites using the steady state fluorescence (SSF) and UV-vis (UVV) techniques depending on PS particle size and TiO2 content. The ... -
Testing of Kerr black hole with quintessential dark energy through observational data by using quasi-periodic oscillations
(Elsevier B.V., 2023)A viable method to examine the wide range of intriguing phenomena that occur in a strong gravity regime is the study of the quasi-periodic oscillations (QPOs) of X-ray flux seen in stellar-mass black hole (BH) binaries. ... -
Theoretical insight of alpha amino acid phenylalanine adsorption on pristine and decorated fullerenes
(Walter De Gruyter Gmbh, 2019)Fullerenes, with their extensive application potentials, have been receiving attention for their possible usage as drug delivery vehicles and devices for sensor technologies. In this work, the optimized molecular geometries, ... -
Vibrational spectra, DFT calculations, conformational stabilities and assignments of the fundamentals of the 1-butylpiperazine
(Elsevier Science Bv, 2016)FT-IR and FT-Raman spectra of 1-butylpiperazine (1bpa) were experimentally recorded in the region of 4000-10 cm(-1) and 4000-100 cm(-1), respectively. The optimized geometric parameters, conformational equilibria, normal ...