# Search results

Mechanics and Mechanical Engineering > 2019 > Vol. 23, nr 1 > 23--27

Journal of Power of Technologies > 2019 > Vol. 99 nr 1 > 49--57

Wiadomości Chemiczne > 2019 > [Z] 73, 1-2 > 75--95

Rudy i Metale Nieżelazne Recykling > 2018 > R. 63, nr 10 > 3--7

Advances in Science and Technology Research Journal > 2018 > Vol. 12, no 3 > 223--232

Comptes Rendus Chimie > 2016 > 19 > 5 > 585-593

Dyes and Pigments > 2015 > 120 > Complete > 335-339

Journal of Inorganic Biochemistry > 2015 > 149 > Complete > 59-67

^{2}

^{+}, by a uranium (VI) dioxo-cation, UO

_{2}

^{2}

^{+}

_{.}Complexation of UO

_{2}

^{2}

^{+}with DPA through the displacement of Ca

^{2}

^{+}was examined with UV/visible spectroscopy,...

Journal of Molecular Liquids > 2015 > 208 > Complete > 191-195

Materials Science in Semiconductor Processing > 2015 > 36 > Complete > 27-35

_{1−x}B

_{x}As

_{y}P

_{1−y}quaternary alloys lattice matched to InP and BeS have been investigated by using the full-potential linearized augmented plane wave (FP-LAPW) method within the density functional theory (DFT). The generalized gradient approximation (GGA) of Wu and Cohen was used as the exchange correlation...

Journal of Molecular Structure > 2015 > 1091 > Complete > 74-80

_{2}]) and dichloro-(8-aminoquinoline)-palladium(II) ([Pd(L2)Cl

_{2}]) have been synthesised and studied by X-ray crystallography and DFT methods. [Pd(L1)Cl

_{2}] crystallised in the monoclinic space group C2/c. In the solid state this compound exists as a one-dimensional...

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy > 2015 > 145 > Complete > 410-416

^{1}H NMR measurements were performed within the synthesized particular phosphorus ylide involving 4-formylphenyl phenylcarbamate. Four rotational process and thereby parameters were targeted for rotation around the C?C, C-C, HC?NC and OC?NC bonds. The Gibbs free activation energy in CDCl

_{3}, ΔG

^{<}>

_{e}

_{x}

_{p}, was found to be 64+/-2, 50+/-2, 41+/-2...

Chemical Physics > 2015 > 452 > Complete > 31-39

_{2}, LiF] are analyzed by density-functional theory calculations using the model molecules of the unit cell. For the calculations, we use deMon density functional theory (DFT) program to estimate VXPS, core-electron binding energies,...

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy > 2015 > 140 > Complete > 585-599

^{1}H NMR,

^{13}C NMR spectroscopy, elemental analyses and mass spectra. The reliabilities of various ab initio methods including HF and B3LYP were evaluated. The bond lengths, bond angles, dihedral angles, charge density on atoms at 7 were calculated...

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy > 2015 > 139 > Complete > 189-199

Computational and Theoretical Chemistry > 2015 > 1056 > Complete > 61-73

_{2}, NH or O, L=X=I or Cl) is reported. An investigation at DFT and MP2 levels of theory predicts that the epoxidation of ethylene with ClZnOCl oxenoid proceeds through a two-step mechanism involving...

Comptes rendus - Physique > 2015 > 16 > 2 > 153-167