Water Dimers in the Atmosphere III: Equilibrium Constant from a Flexible Potential†

Water dimers in the atmosphere III: equilibrium constant from a flexible potential.

We present new results for the water dimer equilibrium constant K(p)(T) in the range 190-390 K, using a flexible potential energy surface fitted to spectroscopical data. The increased numerical complexity due to explicit consideration of the monomer vibrations is handled via an adiabatic (6 + 6)d decoupling between intra- and intermolecular modes. The convergence of the canonical partition func...

LETTERS Water Dimers in the Atmosphere: Equilibrium Constant for Water Dimerization from the VRT(ASP-W) Potential Surface

Nir Goldman,† Raymond S. Fellers,‡ Claude Leforestier,§ and Richard J. Saykally*,† Department of Chemistry, UniVersity of California, Berkeley, California 94720-1416, Yahoo!, 3420 Central Expressway, Santa Clara, California 95051, Laboratoire Structure et Dynamique des Systèmes Moléculaire et Solides (UMR 5636), CC 014, UniVersité des Sciences et Techniques du Langue-doc, 34095 Montpellier Céde...

from linguistics to literature: a linguistic approach to the study of linguistic deviations in the turkish divan of shahriar

chapter i provides an overview of structural linguistics and touches upon the saussurean dichotomies with the final goal of exploring their relevance to the stylistic studies of literature. to provide evidence for the singificance of the study, chapter ii deals with the controversial issue of linguistics and literature, and presents opposing views which, at the same time, have been central to t...

Water in the atmosphere

DFT Application to the Analysis of Quadrupole Coupling Constant of Aluminum Methyl Chloride Dimers

The analysis of the 27Al and 35Cl quadrupole coupling parameters of aluminum methyl chloride dimers were carried out on the basis of the density functional theory (DFT). The available experimental values of quarupole coupling constants were compared with their calculated ones. In this investigation, the correlations were made between calculated 27Al and 35Cl nuclear quadrupole coupling constant...