Ara
Toplam kayıt 21, listelenen: 11-20
Molecular, vibrational and electronic structure of 4-bromo-2-halogenobenzaldehydes: Halogen and solvent effects
(Walter De Gruyter Gmbh, 2017)
The halogen and solvent effects on the structure of 4-bromo-2-halogenobenzaldehydes [C7H4BrXO; X = F (BFB), Cl (BCB) or Br (BBB)] were investigated by the density functional theory (DFT) and time-dependent density functional ...
Fluorescence study of effect of particle size in PS latex/Al2O3 nanocomposite films
(Maney Publishing, 2015)
Steady state fluorescence and BioUV-Visible techniques were used to study film formation of polystyrene (PS) latex and Al2O3 composites depending on PS particles size and Al2O3 content. Two film series (SmPS/Al2O3 and ...
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 ...
Infrared, Raman and density functional characterization and structural study of 2-Nitro-2-phenyl-propane-1,3-diol
(Elsevier Science Bv, 2017)
Nitro compound and nitro derivatives are industrially important to produce rubber and agricultural chemicals. In this study, one of the promising derivatives of nitro compound 2-Nitro-2-phenyl-propane-1,3-diol (2NPP) is ...
Investigation of particle size effect on film formation of polystyrene latexes using fluorescence technique
(Elsevier Science Bv, 2016)
This study reports the particle size effects on the film formation behavior of pyrene labeled polystyrene (PS) latexes by a combination of steady state fluorescence (SSF), UV-vis (UVV) and atomic force microscopy (AFM) ...
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 ...
Condensation of two-dimensional harmonically confined bosons with Bessel-type interactions
(Amer Physical Soc, 2011)
We study the ground-state configurations of few interacting bosons confined in two dimensions by anisotropic harmonic potentials. By means of variational calculations, including correlation effects, we show that the ...
Localization-delocalization transition in the random dimer model
(Amer Physical Soc, 2010)
The random-dimer model is probably the most popular model for a one-dimensional disordered system where correlations are responsible for delocalization of the wave functions. This is the primary model used to justify the ...
Condensate oscillations oscillations in a Penrose tiling lattice
(Elsevier Science Bv, 2017)
We study the dynamics of a Bose-Einstein condensate subject to a particular Penrose tiling lattice. In such a lattice, the potential energy at each site depends on the neighbour sites, accordingly to.the model introduced ...