Computational studies show that the base-mediated intramolecular Diels-Alder of tryptamine-derived Zincke aldehydes, used as a key step in the synthesis of the Strychnos alkaloids norfluorocurarine and strychnine, proceeds via a stepwise pathway. The experimentally determined importance of a potassium counterion in the base is explained by its ability to preorganize the Zincke aldehyde diene in...

s2 1 1d-dimensional anti–de Sitter (AdS) gravity is quantized in the presence of an external scalar field. We find that the coupling between the scalar field and gravity is equivalently described by a perturbed conformal field theory at the boundary of AdS3. This allows us to perform a microscopic computation of the transition rates between black hole states due to absorption and induced emissi...

We formulate thermodynamics of economic systems in terms of an arbitrary probability distribution for a conserved economic quantity. As in statistical physics, thermodynamic macroeconomic variables emerge as the mean value of microeconomic variables and their determination is reduced to the computation of the partition function, starting from an arbitrary function. Explicit hypothetical example...

We examine the dimension of the invariant measure for some singular circle homeomorphisms for a variety of rotation numbers, through both the thermodynamic formalism and numerical computation. The maps we consider include those induced by the action of the standard map on an invariant curve at the critical parameter value beyond which the curve is destroyed. Our results indicate that the dimens...

An overview of some analytical approaches to the computation of the structural and thermodynamic properties of single component and multicomponent hard-sphere fluids is provided. For the structural properties, they yield a thermodynamically consistent formulation, thus improving and extending the known analytical results of the Percus–Yevick theory. Approximate expressions for the contact value...

We present an algorithm to simulate two-dimensional quantum lattice systems in the thermodynamic limit. Our approach builds on the projected entangled-pair state algorithm for finite lattice systems [F. Verstraete and J. I. Cirac, arxiv:cond-mat/0407066] and the infinite time-evolving block decimation algorithm for infinite one-dimensional lattice systems [G. Vidal, Phys. Rev. Lett. 98, 070201 ...

We introduce a version of the cavity method for diluted mean-field spin models that allows the computation of thermodynamic quantities similar to the Franz-Parisi quenched potential in sparse random graph models. This method is developed in the particular case of partially decimated random constraint satisfaction problems. This allows to develop a theoretical understanding of a class of algorit...

We determine the thermodynamic stability conditions for near-extreme rotating D3, M5, and M2-branes with multiple angular momenta. Critical exponents near the boundary of stability are discussed and compared with a naive field theory model. From a partially numerical computation we conclude that outside the boundary of stability, the angular momentum density tends to become spatially inhomogene...

The excess molar enthalpies HEm of the binary systems MF-NdF3 (M = Li, Na, K) were measured in the present work by high temperature calorimetry on a wide temperature (1220 K < T < 1400 K) and composition range. Some points of the equilibrium phase diagram have been also obtained by differential thermal analysis. Using the Hoch-Arpshofen model we represent the excess quantities of different syst...

Very accurate thermodynamic potential functions are available for fluid water, ice, seawater and humid air covering wide ranges of temperature and pressure conditions. They permit the consistent computation of all equilibrium properties as, for example, required for coupled atmosphereocean models or the analysis of observational or experimental data. With the exception of humid air, these poten...