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...

In the present work, the ZORA spin-orbit Hamiltonian, in conjunction with the gauge including orbital (GIAO) method based on DFT theory has been used to calculate 195Pt chemical shift of 195PtClxBr(6-x)(2-) complexes. Excellent agreement with experiments has been obtained for calculations bearing on optimized geometries and all electrons triple zeta + polarization (TZP) STO basis sets: the rela...

In the present work, the quantum theoretical calculations of the molecular structure of the 1-(1, 3Benzothiazol-2-yl)-3-(thiophene-5-carbonyl) thiourea has been predicted and are evaluated using Density Functional Theory (DFT) in gas phase. The geometry of the title compound was optimized by B3LYP/6-311+G and B3LYP/6-311+G* methods and the experimental geometrical parameters of the title compou...

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...

Accurate ab initio calculations at the B3LYP/6-311 G** level have been performed on anionic and neutral structures of 4,5-dihydro-5-oxo[1,2,4]triazolo[1,5-a]pyrimidine, 4,7-dihydro-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine, and 4,5-dihydro-7-amino-5-oxo[1,2,4]triazolo[1,5-a]pyrimidine compounds. The quality of the theoretical results has been tested against the experimental X-ray structures for the...

(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...

Ruthenium complexes have gained significant attention due to ruthenium similarity iron, lower toxicity, and higher anticancer effectiveness than other compounds. In this contribution, five new isonicotinate-polyethylene glycol ester ligands were synthesized characterized by NMR IR spectroscopies. The corresponding Ru(II) also obtained, their structure was elucidated traditional methods. optimiz...