Bài viết tập trung nghiên cứu đặc điểm cơ bản trong giao tiếp của sinh viên Trường Đại học Kỹ thuật Y - Dược Đà Nẵng trên ba phương diện: nhu cầu, nội dung, kỹ năng tiếp; sở đó, đề xuất các biện pháp tác động nhằm nâng cao khả với tư cách là tiện hoạt thầy thuốc tương lai.

While depsidones, depsides or dibenzofuran-like compounds dominate the chemical composition of lichens, cyanolichen Nephroma laevigatum affords a diversity quinoid pigments represented by chlorinated anthraquinones derived from emodin and new bianthrones resulting homo- heterodimerization monomers. Bianthrones were pointed out dichloromethane extract MS/MS-based molecular networking, then isola...

The FTIR and FT-Raman spectra of metronidazolewere recorded in the regions 4000-400cm and 4000-400cmrespectively. The spectroscopic data of the molecule in the ground state were calculated using Hartee-Fock and Density Functional Method (B3LYP) with 6-31G(d,p) basis set. With the observed FTIR and FT-Raman data, a complete vibrational band assignment and analysis of the fundamental modes of the...

Through-space isotropic NMR shielding values of a perpendicular diatomic hydrogen probe moved in a 0.5 Å grid 2.5 Å above several polycyclic aromatic/antiaromatic ring and aromatic/aromatic hydrocarbons were computed with Gaussian 03 at the GIAO HF/6-31G(d,p) level. Combinations of benzene fused with cyclobutadiene, with the tropylium ion, and with the cyclopentadienyl anion were investigated. ...

Chemical shift requires the knowledge of both the sample and a reference magnetic shielding. In few cases as nitrogen (15N), the standard experimental reference corresponds to its liquid phase. Theoretical estimate of NMR magnetic shielding parameters of compounds in their liquid phase is then mandatory but usually replaced by an easily-get gas phase value, forbidding direct comparisons with ex...

The (1)H and (13)C nuclear magnetic resonance (NMR) spectra of the retinyl chromophore in rhodopsin are investigated by using quantum mechanics/molecular mechanics (QM/MM) hybrid methods at the density functional theory (DFT) B3LYP/6-31G*:Amber level of theory, in conjunction with the gauge independent atomic orbital (GIAO) method for the ab initio self-consistent-field (SCF) calculation of NMR...

(61)Ni chemical shifts of Ni(all-trans-cdt)L (cdt = cyclododecatriene, L = none, CO, PMe(3)), Ni(CO)(4), Ni(C(2)H(4))(2)(PMe(3)), Ni(cod)(2) (cod = cyclooctadiene) and Ni(PX(3))(4) (X = Me, F, Cl) are computed at the GIAO (gauge-including atomic orbitals), BPW91, B3LYP and BHandHLYP levels, using BP86-optimised geometries and an indirect referencing scheme. For this set of compounds, substituen...

The spatial magnetic properties (through space NMR shieldings--TSNMRS) of metal complexes (with ligands such as acetylacetone, 3-hydroxy-pyran(4)one) and "metallobenzenes" have been calculated by the GIAO perturbation method and visualized as Iso-Chemical-Shielding Surfaces (ICSS) of various sizes and directions. The TSNMRS values, thus obtained, can be successfully employed to quantify and vis...

hartree-fock (hf) and density functional theory (dft) methods employed to study the effect of conformational change on the 13c chemical shifts of 6-mono axial and equatorial substituted and 6,7-di axial-axial, equatorial-equatorial and axial-equatorial substitutedderivatives of 5,6,7,8-tetrahydrodibenzo[a,c]cyclo-octene. the geometry of the conformers have been optimized in the gas phase employ...