Showing papers on "Statistical weight published in 1973"
TL;DR: In this paper, the statistical weights for all minima with energy ≤ 3 kcal above the lowest for each residue have been calculated, and the calculated minimum-energy conformations, as well as those of highest statistical weight, are for the most part in good agreement with experimental results from studies of these compounds in solution and in the crystalline state.
Abstract: The conformational space accessible to the N-acetyl N′-methyl amides of the 20 naturally occurring amino acids has been explored extensively with the aid of empirical energy functions, and many minima have been located. The statistical weights for all minima with energy ≤ 3 kcal above the lowest for each residue have been calculated. In numerous cases, the conformation of lowest energy does not possess the highest statistical weight, thereby emphasizing the importance of considering the conformational librations when comparing theoretical and experimental results. The calculated minimum-energy conformations, as well as those of highest statistical weight, are for the most part in good agreement with experimental results from studies of these compounds in solution and in the crystalline state.
139 citations
TL;DR: This paper presents a derivation of the Boltzmann distribution for systems in which the total energy is the sum of the energies of the individual molecules and suggests a somewhat different verbal definition of entropy.
6 citations
TL;DR: In this paper, an approximate solution of the Boltzmann equation for shock waves is obtained by a procedure which is an extension of the methods of Mott−Smith and of Salwen, Grosch, and Ziering shock thicknesses for the density, velocity, and temperature profiles.
Abstract: An approximate solution of the Boltzmann equation for shock waves is obtained by a procedure which is an extension of the methods of Mott−Smith and of Salwen, Grosch, and Ziering Shock thicknesses for the density, velocity, and temperature profiles are calculated for Mach numbers from 105 to infinity, and the numerical convergence of the results of the three methods is discussed
1 citations