The armaticity of 5 methylcytosine tautomers in the gas phase has been studied and the chemical structures of related tautomers are investigated . The electronic energy, enthalpy and free energy of each tautomer are also estimated at the B3LYP/6-31 G* // B3LYP/6-31 G* and MP2 / 6-31 G* // MP2 / 6-31 G* Levels

the armaticity of 5 methylcytosine tautomers in the gas phase has been studied and the chemical structures of related tautomers are investigated . the electronic energy, enthalpy and free energy of each tautomer are also estimated at the b3lyp/6-31 g* // b3lyp/6-31 g* and mp2 / 6-31 g* // mp2 / 6-31 g* levels

a method for determination of juglone in leaves and hulls of pterocarya fraxinifolia was developed, based on rp-hplc. this compound was extracted from leaves and hulls by chloroform refluxing about 2 hours. the chloroform was evaporated under low pressure at   50 ºc to produce a dry residue. the remained materials were dissolved in acetonitrile to be used for determination of this compound. app...

In this study, we investigated the effects of organic waste and moisture superabsorbent on the amount of available water and delay in moisture equivalent of permanent wilting point (PWP) in soil. In the first phase (soil incubation phase), 12 treatments were studied in a completely randomized design at the Soil Science Laboratory of Science and Research Branch, Tehran. The treatments c...

In this research, Quantum-mechanical calculations were performed at the HF method with the 6-31+G*basis set and at the B3LYP method with the 6-31+G* basis set in the gas phase and five solvents such as water, DMSO, methanol, ethanol and dichloromethane at six temperatures. According to these theoretical results of IR, we extracted thermo chemical parameters such as enthalpy (∆H Kcal/mol), Gibbs...