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Toplam kayıt 9, listelenen: 1-9
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 ...
Chemical Reactivity Perspective into the Group 2B Metals Halides
(Amer Chemical Soc, 2016)
Chemical reactivity descriptors within the conceptual density functional theory can be used to understand the nature of the interactions between two monomers of the Group 2B metal halides. This information might be valuable ...
Effect of polyvinyl alcohol/chitosan blend ratios on morphological, optical, and thermal properties of electrospun nanofibers
(2019)
In this study, the electrospinning method was used to prepare polyvinyl alcohol (PVA)/chitosan (CS) blend nanofibers from their solutions. The effect of blend ratios (PVA/CS: 1%, 3%, 5%, and 7% (w/w)), applied voltage, and ...
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, ...
The origins of tetrahedral coordination in molten and glassy ZnCl2 and other group-2B metal dihalides
(Elsevier, 2014)
We report the results of first-principles calculations carried out within a relativistic density-functional method, on the molecular trimers of the MX2 compounds (with M = Zn or Cd and X = Cl, Br, or I), showing how a ...
Superhydrophobic EVA copolymer fibers: the impact of chemical composition on wettability and photophysical properties
(Springer, 2018)
Fibers of poly(vinyl acetate) (PVAc) homopolymer and ethylene vinyl acetate (EVA) copolymers with varying vinyl acetate (VAc) contents between 25 and 40wt.% have been prepared to investigate wettability and photophysical ...
Effect of flow rate on wetting and optical properties of electrospun poly(vinyl acetate) micro-fibers
(Springer, 2019)
In this work, extremely hydrophobic micro-fibers from polyvinyl acetate (PVAc) were obtained by changing the flow rate of the solution in electrospinning process. Surface morphologies and wettability of the fiber surfaces ...
Synthesis of fluorinated polypropylene using CuAAC click chemistry
(Wiley, 2019)
Synthesis of fluorine containing polypropylene (PP-F) from chlorinated polypropylene (PP-Cl) via Cu(I) catalyzed Huisgen type 1,3-dipolar cycloaddition (CuAAC) and its water repellency properties are demonstrated. Initially, ...
The effect of drop size on contact angle measurements of superhydrophobic surfaces
(Royal Soc Chemistry, 2014)
In this study, the effect of drop volume on contact angle (CA) values and also on the applicability of the Cassie-Baxter equation is experimentally investigated. To do this, dimethyldichlorosilane (DMDCS) coated different ...