Ara
Toplam kayıt 113, listelenen: 31-40
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 ...
Anderson localization in optical lattices with speckle disorder
(Amer Physical Soc, 2011)
We study the localization properties of noninteracting waves propagating in a speckle-like potential superposed on a one-dimensional lattice. Using a combined decimation-renormalization procedure, we estimate the localization ...
Elucidation of the atroposelectivity in the synthesis of axially chiral thiohydantoin derivatives
(Royal Soc Chemistry, 2020)
Recently, Sarigul and Dogan have synthesized a number of enantiomerically enriched axially chiral atropoisomeric 2-thiohydantoins by the reaction of c-amino acid ester salts and o-aryl isothiocyanates in the presence of ...
The emerging applications of click chemistry reactions in the modification of industrial polymers
(Royal Soc Chemistry, 2019)
Polymer modification has been practiced since the very early technological development of human kind by transforming natural resources into value-added commodities. Ever since the middle of the last century in which ...
A Theoretical Study On Rh(I) Catalyzed Enantioselective Conjugate Addition Reactions of Fluoroalkylated Olefins
(Amer Chemical Soc, 2014)
In this study, quantum mechanical calculations have been performed to elucidate the mechanism and enantioselectivity in rhodium-catalyzed 1,4-conjugate addition reaction of a series of aryl groups to electron-deficient ...
Characterization of the core in full domain marriage problems
(Elsevier Science Bv, 2014)
In this paper, we study the core of two-sided, one-to-one matching problems. First, in a model in which agents have strict preferences over their potential mates and are allowed to remain single, we characterize the core ...
Shape-controlled growth of metal nanoparticles: an atomistic view
(Royal Soc Chemistry, 2016)
Recent developments in shape-controlled synthesis of metallic nano-particles present a promising path for precisely tuning chemical activity, selectivity, and stability of nano-materials. While previous studies have ...