the n-(2-benzoyl-phenyl) oxalyl derivatives are important models for studying of three-centered intramolecular hydrogen bonding in organic molecules. the quantum theoretical calculations for two crystal structures of n-(2-benzoyl-phenyl) oxalyl (compounds i and ii) were performed by density functional theory (b3lyp method and 6-311+g* basis set). from the optimized structures, geometric paramet...

We explicitly compute limit shapes for several grand canonical Gibbs ensembles of partitions of integers. These ensembles appear in models of aggregation and are also related to invariant measures of zero range and coagulation-fragmentation processes. We show, that all possible limit shapes for these ensembles fall into several distinct classes determined by the asymptotics of the internal ener...

An algorithm is described for the calculation of equilibrium compositions of multiple highly nonideal liquid and solid solutions, as well as pure stoichiometric phases, coexisting with a mixture of ideal gas species at fixed temperature and pressure. The total Gibbs free energy of the system is approximated as a quadratic function of the compositions of the gas phase and stable condensed phases...

Based on the previous article 'Cellular Thermodynamics' (2004) by Joe Wolfe Article contents • Introduction • Equilibrium • Steady state • Heat, light, photons and 'useful energy' • Macroscopic and microscopic views • Distribution of molecules and energy: low energy vs. high entropy • Reaction rates and equilibria • Enthalpy • Gibbs free energy • Other equilibria • The chemical potential • Surf...

In this paper we present a stochastic sampling approach to estimate multiple human trajectory in the meeting. The algorithm is formalized as a energy minimization problem based on stochastic sampling of deterministic trajectory, and has some effectiveness to the low frame data with jumps and switchings and it can estimate a near optimal result in 9 times faster then the real-time by using Gibbs...

We study the thermodynamic formalism for generalized Gibbs measures, such as renormalization group transformations of Gibbs measures or joint measures of disordered spin systems. We first show existence of the relative entropy density and obtain a familiar expression in terms of entropy and relative energy for ”almost Gibbsian measures” (almost sure continuity of conditional probabilities). We ...