Quantum topology phase diagrams for molecules,clusters, and solids

The need to make more quantitative use of the total electronic charge density distribution is demonstrated in this short perspective. This is framed in the perspective of the ground breaking early work of Bader and coworkers, along with mathematicians who captured the essential nature of a molecule in a suitably compact form in real space. We see that this simple form is the Poincaré–Hopf relation for molecules and clusters and the Euler–Hopf relation in solids. Thom's theory of elementary catastrophes combined with the Poincaré–Hopf relation provides the inspiration for the new quantum topology. An alternative use of the Poincaré–Hopf relation, molecular recognition, is discussed. Quantum topology is then used to create a topology phase diagram for both molecules and solids. The author adds their perspectives of the huge potential of the quantum topology approach by demonstrating the ease with which new theoretical ideas can be generated. © 2013 Wiley Periodicals, Inc.     

Pauli paramagnetic effects on vortices in superconducting TmNi2B2C

The magnetic field distribution around the vortices in TmNi2B2C in the paramagnetic phase was studied experimentally as well as theoretically. The vortex form factor, measured by small-angle neutron scattering, is found to be field independent up to 0.6Hc2 followed by a sharp decrease at higher fields. The data are fitted well by solutions to the Eilenberger equations when paramagnetic effects due to the exchange interaction with the localized 4f Tm moments are included. The induced paramagnetic moments around the vortex cores act to maintain the field contrast probed by the form factor.     

An explanation of the unusual strength of the hydrogen bond in small water clusters

We seek to explain why the hydrogen bond possesses unusual strength in small water clusters that account for many of the complex behaviors of water. We have investigated and visualized the donation of covalent character from covalent (sigma) to hydrogen bonds by calculating the eigenvector coupling properties of quantum theory of atoms in molecules (QTAIM), stress tensor σ ( r ), and Ehrenfest Force F ( r ) on the F ( r ) molecular graph. The next-generation three-dimensional (3-D) bond-path framework sets are presented, and only the F ( r ) bond-path framework sets reproduce the earlier finding on the coupling between covalent (sigma) and hydrogen bonds that possess a degree of covalent character. Exploration of the bond-path between the covalent (sigma) and hydrogen bond's critical points provides an explanation for the previously obtained coupling results. The directional character of the covalent (sigma) and hydrogen bonds' 3-D bond-path framework sets for the F ( r ) explains differences found in the earlier results from QTAIM and the stress tensor σ ( r ).     

Buffers for the Physiological pH Range: Studies of 4-(N-Morpholino)butanesulfonic Acid (MOBS) from 5 to 55 °C

In this study, we report the pH values of two buffer solutions without chloride ion and eight buffer solutions with NaCl with an ionic strength I=0.16 mol?kg^?1. Electromotive force (emf) techniques have been used to get the cell potentials at 12 temperatures from 5 to 55?°C, including 37?°C. An extended form of the Bates-Guggenheim convention is used in the entire ionic strength range, 0.04 to 0.16?mol?kg^?1. The residual liquid junction potentials (??E _j ) of the buffer solutions of MOBS have been estimated from previous measurements with a flowing junction cell. These values of ??E _j have been used for correction in order to ascertain the operational pH values of four buffer solutions of MOBS at 25 and 37?°C. These solutions are recommended as pH standards for physiological application in the pH range 7.4 to 7.7.     

On the local behavior of certain homeomorphisms. II

In the previous paper by the authors, it is shown that a sense-preserving homeomorphism, absolutely continuous on lines (ACL), under certain integral conditions on the complex dilation is conformal at a point. This result includes the Teichmüller-Wittich-Belinski theorem. In the present paper, it is shown that under weakened conditions the local behavior of such a homeomorphism is similar to that of a quasiconformal mapping. Bibliography: 2 titles.Translated fromZapiski Nauchnykh Seminarov POMI, Vol. 237, 1997, pp. 11–20.Dedicated to the 90th anniversary of G. M. Goluzin's birth.     

Segregation in binary mixtures under gravity

We employ kinetic theory for a binary mixture to study segregation by size and/or mass in a gravitational field. Simple segregation criteria are obtained for spheres and disks that are supported by numerical simulations.     

MiniMax: What has been learned thus far

Summary A small experiment, ?MiniMax?, has been set up in the C0 intersection region of the Fermilab Tevatron to seek evidence for disoriented chiral condensates and to study other forward physics phenomena. The experiment consists of a proportional wire chamber telescope accompanied by scintillation (trigger) counters, a lead converter, and followed by an electromagnetic calorimeter. The solid angle accepted is a cone centered at pseudorapidity (η) of 4.1 and of radius (in η-ϕ space) of about 0.6. Over 2.5 million events thus far have demonstrated the successful operation of the apparatus, however to date the analysis has not progressed sufficiently to permit any conclusions concerning disoriented chiral condensates. presented byL. W. Jones Paper presented at the Special Session on very high-energy cosmic-ray interactions (superfamilies) of the XXIV International Cosmic-Ray Conference, Rome, August 28–September 8, 1995.     

Adsorption and displacement effects in the gas-chromatography of metal beta-diketonates

A detailed study of the gas chromatography of the aluminium(III), chromium(III) and iron(III) beta-diketonates has shown that their elution and separation characteristics arise from a number of adsorptive effects. Conditions of optimal peak shape for individual compounds are established by varying Chromatographie parameters, and the adsorption of one metal chelate on a column and its subsequent displacement by another chelate are investigated. The chromatography of iron(III) beta-diketonates is seen to be further complicated by gradual elution of a portion of the chelate before the rest of the sample.