نتایج جستجو برای: chemical parameters
تعداد نتایج: 931289 فیلتر نتایج به سال:
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...
using the computational methods, the interaction effect of glutamine amino acid on graphene was investigated. for this purpose, the density functional theory) dft (in the ground state of 6-31g was used, and the interaction effects of glutamine on graphene was investigated through attachment to two different base positions. different parameters such as energy levels, the amount of chemical shif...
Swimming is considered one of the most conventional recreational activities for both leisure and exercising. Swimming pools have either public or private usage. Nevertheless, if the water of the swimming pools is polluted and is not identified on time, it could result in the transmission of various diseases to the people who use them. Therefore, the main objective of this study was to assess th...
there has been a gradual shift of focus from the study of rule systems, which have increasingly been regarded as impoverished, … to the study of systems of principles, which appear to occupy a much more central position in determining the character and variety of possible human languages. there is a set of absolute universals, notions and principles existing in ug which do not vary from one ...
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