Potential energy surface

Knowledge of heat flow density on the Earth’s surface and subsurface temperature distribution is essential for the interpretation of several processes in the crust such as for the evaluation of the geothermal potential of a region. With this study, we investigate the conductive heat flow distribution in western Anatolia to understand the thermal state and its relationship to regional tectonics in the region. The new heat flow data are collected and combined with previously published data to obtain the new heat flow map of western Anatolia.

17p tanmocphong 29-01-2022 10 1   Download

The demand for energy is increasing day by day worldwide due to population growth, industrialization and rising living standards. Geothermal energy, one of the alternative energy sources, is preferred in terms of providing environmentally friendly, quality and regular energy. Our country is rich in geothermal resource potential. However, there are still many unexplored geothermal resources. In this study, fuzzy-AHP method was used to determine the geothermal potential of Ağrı province.

17p tanmocphong 29-01-2022 16 1   Download

Using ab-initio calculations at the MP2/6-311G(3df, 2pd), a very high level theory, we obtained minimum energy structures for the C2H5O radical, products and transition states of reactions on the potential energy surface.

7p tamynhan9 02-12-2020 17 1   Download

C2H5OH has been using as an alternative fuel for decades; HO2 also plays a pivotal role in the combustion. The kinetics and mechanism for the reaction between C2H5OH and HO2 radical have been investigated using the molecular parameters for the reactants, transition states and products predicted at the CCSD(T)//B3LYP/6-311++G(3df,2p) level of theory.

7p tamynhan6 14-09-2020 16 1   Download

In this work, we investigated the adsorption mechanism of acetone and toluene on the surface of silicene by the quantum simulation method. The images of the potential energy surfaces for different positions of the adsorbate on the silicene surface were explored by Computational DFTbased Nanoscope tool for determination of the most stable configurations and diffusion possibilities.

8p tamynhan6 14-09-2020 24 3   Download

The exocyclic hydroxymethyl group of the
-D-1-amino-1-deoxyglucopyranose can rotate around the carbon-carbon bond. Potential energy surface for this rotation has been investigated using ab initio quantum chemical methods. Relevant stationary points, including for the first time rotational transition states have been characterized by full geometry optimization using basis sets 6-31G(d) and 6-31G(2d,lp). There is a total of six stationary points along the hydroxymethyl rotational surface, including three minima and three transition states were identified.

5p uocvong04 24-09-2015 42 2   Download

A new baculovirus-based fluorescence resonance energy transfer (Bv-FRET) assay for measuringmultimerization of cell surface molecules in living cells is described. It has been demonstrated that gonadotropin-releasing hormone recep-tor (GnRH-R) was capable of forming oligomeric com-plexes in the plasma membrane under normal physiological conditions. The mouse gonadotropin-releasing hormone receptor GnRH-R was used to evaluate the efficiency and potential applications of this assay.

9p fptmusic 12-04-2013 58 4   Download