Some of the Adamantane properties were calculated in this study. Chemical shift, free energy ofsolvation, free energy of cavity formation, Henry's law constant, and other properties ofAdamantane in dry phase, three solvents and three temperatures have been calculated with Abinitio method base on density functional theory (DFT) at B3lyp/6-31g, B31yp/6-31g*, B3lyp/6-31+g* and B3lyp/6-31++g** leve...

Strange particles produced in S–Au/W/Pb 200 A GeV and Pb–Pb 158 A GeV reactions are described invoking final hadronic phase space in thermal equilibrium, but allowing chemical non-equilibrium. Several sets of statistical freeze-out parameters are obtained for each system, invoking different models of dense matter. We show that only when allowing for strange and non-strange flavor abundance non-...

The paper recalls some fundamental notions, developed by Otto Meyerhof, which were used in the analysis of the transduction of chemical into mechanical energy during muscular contraction. These notions formed the basis of the approach to the analysis of the transduction of chemical into electrical energy, i.e., the very principle underlying nerve and muscle excitability and bioelectricity. Inst...

abstract the aim of this study was to determine the input–output energy consumption in different levels of tomato production. the data used in the study were obtained from 140 tomato growers in different villages of marand township by using a face to face questionnaire. the results showed that the amount of energy consumed in tomato production was 65.2 gjha-1 which about 51% of this was generat...

The energy efficiency, greenhouse gas (GHG) emissions, and carbon efficiency of paddy rice production were analysed in Sari in the Mazandaran province of Iran during 2011–2012. Data was collected through questionnaires and interviews with paddy producers. The results showed that the net energy gain was 27,932 MJ ha-1 and energy efficiency was 1.83 during production. The results o...

In living cells, molecular motors convert chemical energy into mechanical work. Its thermodynamic energy efficiency, i.e. the ratio of output mechanical work to input chemical energy, is usually high. However, using two-state models, we found the motion of molecular motors is loosely coupled to the chemical cycle. Only part of the input energy can be converted into mechanical work. Others is di...

The energy efficiency, greenhouse gas (GHG) emissions, and carbon efficiency of paddy rice production were analysed in Sari in the Mazandaran province of Iran during 2011–2012. Data was collected through questionnaires and interviews with paddy producers. The results showed that the net energy gain was 27,932 MJ ha-1 and energy efficiency was 1.83 during production. The results o...

Objective(s): First principles calculations were performed to study four multiple sclerosis drugs namely, Ampyra, Fingolimod, Mitoxantrone and Eliprodil in gas and liquid phases using Density Functional Theory (DFT). Computational chemistry simulations were carried out to compare calculated quantum chemical parameters for Ampyra, Fingolimod, Mitoxantrone and Eliprodil. Materials and Methods: Al...

in this research at the first metoprolol drug and its fullerene derivative were optimized. natural bond orbital (nbo), nuclear indepndent chemical shift (nics) and finally ir calculations, for these compounds were carried out at the b3lyp/6-31g* quantum chemistry level. different parameters such as energy levels, the amount of chemical shift in different atoms, the amount of homo/lumo, chemical...