In this paper, the hydrogen bonding (HB) effects on the NMR chemical shifts of selected atoms in serineand serine-nH2O complexes (from one to ten water molecules) have been investigated with quantummechanical ...

Thermal rearrangement of 7,7-dichloro-[a,c]-dibenzo-[4,1,0]-bicycloheptane (1) to 5,6-dichloro-5Hdibenzo-[a,c]-cycloheptene (2) was studied in the solid phase and in solvents with different polarities. The

In this study the binding abilities of 1,3-calix[4]biscrown-6 (L) toward Ba2+ and Ca2+ have beenestablished in methanol by spectrophotometric measurements at 25±0.1 °C and 0.01 M ionicstrength, and with using ...

In this work, we calculated the several physico chemical properties containing of solubility (byVCL), lipophilicity (by milinspiration), dipole and quadrupole moments (by Density FunctionalTheory) for 7 AZT ...

In order to shed more light on the effect of peripheral groups of porphyrin core intophysicochemical properties and DNA binding behavior of porphyrins, we have chosen toinvestigate solution properties and calf ...

One of the useful indices in molecular topology is Randić index. The alternative double bonds andconjugation in the polyene compounds are one of the main properties in these compounds. Someof the molecular ...