Journal of Chemical Physics

  title={Journal of Chemical Physics},
  • Nature
The first number of the new American Journal of Chemical Physics, which is published by the American Institute of Physics and has an editorial board comprising the leading American chemists and physicists, contains a number of important papers. In a brief editorial introduction, Prof. H. C. Urey, the managing editor, states that the journal caters for an increasing number of investigators who are working on subjects on the border-line between physics and chemistry, who have a broad knowledge of… 
The ELF Perspective of chemical bonding
The Electron Localization Function (ELF) identifies regions of space that can be associated with electron pairs. It is usually obtained from quantum mechanical calculations, and helps building a
Potential of a neutral impurity in a large 4 He cluster
This paper presents an analysis of the motion of an neutral impurity species in a nanometer scale 4 He cluster, extending a previous study of the dynamics of an ionic impurity. It is shown that for
Ionic interactions in biological and physical systems: a variational treatment.
Here, a variational treatment of ard spheres in a frictional dielectric is presented with the hope that such a treatment of an lectrolyte as a complex fluid will be productive.
Systematic trends in electronic properties of alkali hydridesThis article is part of a Special Issue on Spectroscopy at the University of New Brunswick in honour of Colan Linton and Ron Lees.
Obtaining ultracold samples of dipolar molecules is a current challenge, which requires an accurate knowledge of their electronic properties to guide the ongoing experiments. Alkali hydride molecules
Diffusion: Macroscale Dwarf and Nanoscale Giant
Diffusion processes of particles or energy exhibit a characteristic scaling behavior with space and time. In this contribution, the background of this scaling behavior will be shortly described and
Photodissociation Spectroscopy of Anionic Transition Metal Complexes
Date The final copy of this thesis has been examined by the signatories, and we find that both the content and the form meet acceptable presentation standards of scholarly work in the above mentioned
First-Principles Atomistic Simulations of Energetic Materials
This dissertation is concerned with the understanding of physico-chemical properties of energetic materials (EMs). Recently, a substantial amount of work has been directed towards calculations of
Dynamics of clusters and molecules in contact with an environment
Abstract We present recent theoretical investigations on the dynamics of metal clusters in contact with an environment, deposited or embedded. This concerns soft deposition as well as irradiation of
Generalized principle of corresponding states and the scale invariant mean-field approach.
The relations between the critical points of the Lennard-Jones fluids and lattice gas model found in Buckingham and the Mie-potentials are applied to other short-ranged potentials to find the estimates for the corresponding critical point loci correlate quite satisfactory with the available numerical data for these potentials.
Kinetic Transition Networks for the Thomson Problem and Smale's Seventh Problem.
By analyzing the kinetic transition networks, it is shown that a randomly chosen minimum is, in fact, always "close" to the global minimum in terms of the number of transition states that separate them, a characteristic of small world networks.