The influence of the nature of different grafted cations and of the central anion XO4n− on the relative stabilities of the lacunary isomers was analyzed. From these results, an interpretation of the structural difference in the metallic frameworks of α-[PW11O39{Ru(DMSO)3(H2O)}]5−, ...
Supercapacitors are a type of energy storage device that was developed and manufactured to solve the problem of energy storage systems1,2. This is because of their large power density and excellent cycle life3,4. Based on the store charge, supercapacitor energy storage devices can be put into ...
The electronic spectra of benzene and its conjugated isomers: A full perturbative CI approach The lower transition energies of benzene and its conjugated planar isomers: fulvene, dimethylene-cyclobutene, and trimethylene cyclopropane, have been calc... P Rancurel,B Huron,L Praud,... - 《Journal ...
All calculations were performed using DFT and the ORCA 4.1.0 program package as the main tool for geometry optimization and frequency calculations. The Avogadro 1.2.1 visualization tool was used to prepare all input files executed by ORCA 4.1.0. The BP86, B3LYP, and wB97M series of functiona...
For the square planar complex [M(a) (b) (c ) (d)] (where M = central meatal and a, b, c and d are monodentate ligands), the number of possible geometrical isomers are A1 B2 C3 D4Submit If a complex, Ma4b2 (where M is a central atom and a and b are mondentate ligands ...
Phenylbutazone affects the metab- olism of the R- and S- isomers of warfarin in complex and differ- ent ways with the net effect of enhancing its anticoagulant activity.3 Related drugs such as oxyphenbutazone, azapropa- zone,4-6 and feprazone7 behave similarly and should also be avoided...
www.nature.com/scientificreports OPEN Kinetic trapping of 2,4,6‑tris(4‑pyridyl) benzene and Z nI2 into M 12L8 poly‑[n]‑catenanes using solution and solid‑state processes Javier Martí‑Rujas 1,2*, Stefano Elli 1 & Antonino Famulari 1,3 ...
To obtain more accurate relative energies, single-point electronic ener- gies of the five anionic isomers were subsequently calculated using the coupled-cluster theory UCCSD(T)/3–21 G method at their PBE0/6–311 + G* optimized geometries. All ground-state geometries of the metall...
The chiral (n,m)-isomers can be grouped further into heli- cal enantiomers of (P) and (M), and the two different isomers of Hex X PtCl2(cod) (1.0 eq.) X CsF (6.0 eq.) THF Hex reflux 24 h 1 (X = Br) 2 (X = Bpin) pinB-Bpin (2.2 eq.) PdCl2(dppf)•CH2Cl2 (3 ...
HAuCl4× 3H2O was supplied by Roth (Karlsruhe, Germany). Acetone, ascorbic acid (AA), NaCl, urea, glucose (Glu) and KCl were provided by Chimreactiv/Reactivul (Bucuresti, Romania). FeCl3 was furnished by Fluka Chemie (Buchs, Switzerland). Calcium lactate (CaL) was bought from DH ...