Buscar
Mostrando ítems 31-40 de 3515
Semi-Empirical Determination of the Mass Distribution of Horizontal Branch Stars in M3
(2009)
We determine, by means of a semi-empirical study, the masses of horizontal branch stars in the globular cluster M3 (NGC 5272). We used the most recent and reliable observational datasets (broadband BVI photometry) available ...
Centrosymmetric resonance-assisted intermolecular hydrogen bonding chains in the enol form of -diketone: Crystal structure and theoretical study
(Journal of Molecular Graphics and Modelling, 2018)
Centrosymmetric resonance-assisted intermolecular hydrogen bonding chains in the enol form of β-diketone: Crystal structure and theoretical study
(Journal of Molecular Graphics and Modelling, 2019)
Semi-Empirical Quantum Chemistry Method for Pre-Polymerization Rational Design of Ciprofloxacin Imprinted Polymer and Adsorption Studies
(Soc Brasileira Quimica, 2016-01-01)
It is well known that selectivity of molecularly imprinted polymers (MIPs) depends on adequate choice of functional monomer before the experimental synthesis. Computational simulation seems to be an ideal way to produce ...
SEMI-EMPIRICAL DETERMINATION OF THE MASS DISTRIBUTION OF HORIZONTAL BRANCH STARS IN M3UNSOLVED PROBLEM IN STELLAR PHYSICS
(AMERICAN INSTITUTE OF PHYSICS, 2016)
Electron momentum density and Compton profile by a semi-empirical approach
(Elsevier, 2015-03)
Here we propose a semi-empirical approach to describe with good accuracy the electron momentum densities and Compton profiles for a wide range of pure crystalline metals. In the present approach, we use an experimental ...
Study of bi-dimensional materials using a semi-empirical potential including a torsional term
(Elsevier Science, 2017-10)
The static and dynamical properties of graphene, silicene and their fully hydrogenated compounds were studied using a semi-empirical potential of the form proposed by Tersoff with the addition of a torsion-like term. The ...
Semi-empirical quantum evaluation of peptide – MHC class II binding
(2017)
Peptide presentation by the major histocompatibility complex (MHC) is a key process for triggering a specific immune response. Studying peptide-MHC (pMHC) binding from a structural-based approach has potential for reducing ...