Thermodynamic conventions suffer from describing dynamical distinctions, especially when the structural and energetic changes induced by rare events are insignificant. By using ensemble theory in trajectory space, we present a statistical approach to address this problem. Rather than spatial particle-particle interaction which dominates thermodynamics, temporal correlation of dynamics. The zero...

In this analysis we shall essentially focus on spatial differentiations emerging in two successive waves of demographic innovation in Belgium. More specifically, we shall explore to what extent the unfolding of the spatial pattern of the so-called Second Demographic Transition (SDT) from the mid-1960s onward replicated that of the historical First Demographic Transition (FDT), which essentially...

This paper is a density functional theory (DFT) calculation of intramolecular proton transfer (IPT) in 6-hydroxypicolinic acid (6HPA, 6-hydroxypyridine-2-carboxylic acid) tautomeric forms. The transition state for the enol-to-keto transition is reported in the gas phase and in four different solvents. The planar and non-planar dimer forms of 6HPA keto and enol, respectively, were also studied i...

The demographic transition that swept the world in the course of the last century has been identified as one of the prime forces in the transition from stagnation to growth. The unprecedented increase in population growth during the early stages of industrialization was ultimately reversed and the demographic transition brought about a significant reduction in fertility rates and population gro...