The thermodynamic functions such as enthalpy, H°, Gibbs free energy, G°, and entropy, S°, of Arginine and Lysine amino acids were theoretically studied at different polar solvents by using ²Gaussian o3², software. First, the structural optimization of isolated Arginine and Lysine were done in the gas phase by applying the Density Functional Theory (B3LYP) level ...

Using Gaussian 03, software the thermodynamic functions such as Gibbs free energy, G, Enthalpy, H, and Entropy, S, of Alanine and Valine amino acids were theoretically studied at different solvents. First, the Density Functional Theory (B3LYP) level with 3-21G, 6-31G and 6-31+G basis sets were employed to optimization of isolated Alanine and Valine amino acids in the gas phase. Moreover, Vib...

Particle swarm optimization (PSO) is employed to investigate the overall performance of a pin fin.The following study will examine the effect of governing parameters on overall thermal/fluid performance associated with different fin geometries, including, rectangular plate fins as well as square, circular, and elliptical pin fins. The idea of entropy generation minimization, EGM is employed to ...

Exact calculations are given for the Casimir energy for various fields in R×S3 geometry. The Green’s function method naturally gives a result in a form convenient in the high-temperature limit, while the statistical mechanical approach gives a form convenient for low temperatures. The equivalence of these two representations is demonstrated. Some discrepancies with previous work are noted. In n...

the thermodynamic functions such as enthalpy (h), gibbs free energy (g) and entropy (s) of serineand threonine amino acids were theoretically studied at different condition (solvents andtemperatures) by using gussian o3, software. first, the structural optimization of isolated serine andthreonine were done in the gas phase by using the hartree-fock (hf) level of theory with 3-21g, 6-31g and 6-3...

We present a direct comparison of the recently proposed valence bond entanglement entropy and the von Neumann entanglement entropy on spin-1/2 Heisenberg systems using quantum Monte Carlo and density-matrix renormalization group simulations. For one-dimensional chains we show that the valence bond entropy can be either less or greater than the von Neumann entropy; hence, it cannot provide a bou...

It has been recognized for some time that, even perfect conductors, the interaction Casimir entropy, due to quantum/thermal fluctuations, can be negative. This result was not considered problematic because it thought that self-entropies of bodies would cancel this negative yielding a total entropy positive. In fact, cancellation seems occur. The positive self-entropy perfectly conducting sphere...

Abstract We compare the regularity of boundary a convex set with value its Finslerian volume entropy. The main result states that entropy two-dimensional domain whose associated curvature measure is Ahlfors $$\alpha $$ α -regular $$\frac{2\alpha }{\alpha +1}$$ 2 </mml:m...

In the LLM bubbling geometries, we compute the entropies of black holes and estimate their “horizon” sizes from the fuzzball conjecture, based on coarse-graining on the gravity side. The differences of black hole microstates cannot be seen by classical observations. Conversely, by counting the possible deformations of the geometry which are not classically detectable, we can calculate the entro...

We show that the entropy of fluctuating two-charge supertubes placed in three-charge scaling microstate solutions depends on their "effective" charges, which in strong magnetic fields can be much larger than their charges. This leads to a much larger entropy than one naively would expect. Since fluctuating supertubes source smooth geometries in certain duality frames, we propose that such an en...