相关论文: Compound-specific isotope analysis
Stereoisomers have the same molecular formula and the same atom connectivity and their existence can be related to the presence of different three-dimensional arrangements. Stereoisomerism is of great importance in many different fields…
A new method for the computation of the posterior distribution of the number k of components in a finite mixture is presented. Two aspects of prior specification are also studied: an argument is made for the use of a Poisson(1) distribution…
Recent observational studies of high- and low-mass YSOs at (sub)millimeter and infrared wavelengths are reviewed, and chemical diagnostics of the different physical components are summarized. Methods for determining the temperature, density…
Topological materials present unconventional electronic properties that make them attractive for both basic science and next-generation technological applications. The majority of currently known topological materials have been discovered…
Several transiting super-Earths are expected to be discovered in the coming few years. While tools to model the interior structure of transiting planets exist, inferences about the composition are fraught with ambiguities. We present a…
Many tools and techniques measure local structure in materials in contexts ranging from biology to geology. We provide a survey of those tools and metrics that are especially useful for analyzing particulate soft matter. The metrics we…
The specific heat is a central property of condensed matter systems including polymers and oligomers in their condensed phases. Yet, predictions of this quantity from molecular simulations and successful comparisons to experimental data are…
The chemical potential of adsorbed or confined fluids provides insight into their unique thermodynamic properties and determines adsorption isotherms. However, it is often difficult to compute this quantity from atomistic simulations using…
This paper is a companion article to the review paper by the present author devoted to the classification of matter constituents (chemical elements and particles) and published in the first part of the proceedings of The Second Harry Wiener…
Isothermal-isobaric molecular dynamics simulations have been performed to examine a broad set of properties of the model water-1,2-dimethoxyethane (DME) mixture as a function of composition. The SPC-E and TIP4P-Ew water models and the…
A theoretical model of multi-energy radiography (MER) are proposed. It is shown that, as distinct from the conventional radiography, MER allows identification of organic substances and control of their chemical composition. Broad prospects…
A stirring device consisting of a periodic motion of rods induces a mapping of the fluid domain to itself, which can be regarded as a homeomorphism of a punctured surface. Having the rods undergo a topologically-complex motion guarantees at…
The homogeneous transform has many practical applications outside the realm of mathematics, for instance to represent the proportions of several chemical substances. We aim here to present results about the transformation of measures, which…
The increasing number of observations towards different environments in the Milky Way, as well as theoretical and experimental works, are improving our knowledge of the astrochemical processes in the interstellar medium (ISM). In this…
We report a facile `metric' for the identification of structurally and dynamically (positive definite phonon structure) stable inorganic compounds. The metric considers charge-imbalance within the local substructures in crystalline…
The formation of organic compounds is generally assumed to result from abiotic processes in the Solar System, with the exception of biogenic organics on Earth. Nitrogen-bearing organics are of particular interest, notably for prebiotic…
High-resolution doppler spectroscopy provides a powerful means for chemical detections in exoplanetary atmospheres. This approach involves monitoring hundreds of molecular lines in the planetary spectrum doppler shifted by the orbital…
From millimeter and optical observations of the Jupiter-family comet 17P/Holmes performed soon after its huge outburst of October 24, 2007, we derive 14 N/15N = 139 +/- 26 in HCN, and 14N/15N = 165 +/- 40 in CN, establishing that HCN has…
A scattering model is developed for ultracold molecular collisions, which allows inelastic processes, chemical reactions, and complex formation to be treated in a unified way. All these scattering processes and various combinations of them…
The great diversity of the thousands of planets known to date is proof of the multitude of ways in which formation and evolution processes can shape the life of planetary systems. Multiple formation and evolution paths, however, can result…