12 Result(s)
within
Chemistry
R. Stephen Berry
Chapter
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Chapter
Ions in liquid metal clusters
From the results of computer simulations, especially of 13-atom metal clusters by molecular dynamics, we derive a theory of the solid–liquid phase transition in metal clusters that connects to the jellium mode...
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Chapter
The Phase Rule: Beyond Myopia to Understanding
The Gibbs phase rule relating the number of degrees of freedom f of a system to the number of components c and the number of coexisting phases p is a central, universally used relation, expressed by what is proba...
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Chapter
Phases, Phase Changes, and the Thermodynamics of Small Systems
The thermodynamics of small systems seems strange, even bizarre, at first encounter, especially if one’s thinking is locked to the concepts traditionally presented in texts and courses on thermodynamics of con...
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Chapter
Probing The Collective and Independent-Particle Character of Atomic Electrons
Niels Bohr and Arnold Sommerfeld developed their model of the hydrogen atom and other one-electron atoms based on the concepts of discrete, stationary states and quantized energies and angular momenta of these...
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Chapter
Phase Changes for Clusters and for Bulk Matter
Two kinds of phase changes are analyzed and compared, in the context of clusters and in terms of their implications for bulk matter. The homogeneous melting and freezing transition is reviewed briefly with reg...
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Chapter and Conference Paper
How We and Molecules Explore Molecular Landscapes
The multidimensional potential surfaces of clusters and polyatomic molecules can now be mapped by efficient techniques for finding minima and saddle points and, from them, “reaction paths”. How the geometry an...
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Chapter
Time Scale Considerations in the Characterization of Melting and Freezing in Microclusters
In spite of their size, some microclusters exhibit distinct solid and liquid forms, according to diffraction and simulation studies. Both isothermal and isoergic simulations show that several free Ar ...
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Chapter and Conference Paper
Phase Changes: The Interplay of Dynamics and Equilibrium in Finite Systems
Finite systems may exhibit solid-like and liquid-like “phases”, whose conditions for mutual equilibrium do not correspond to those of any traditional bulk phase transition, whether first-order, second-order or...
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Chapter
Molecules: Rigid/Floppy or Solid/Liquid?
Nearly-rigid molecules and clusters are identified with solid-like systems and very nonrigid molecules and clusters, with liquid-like counterparts. Evidence from analytic theory and simulations is building to ...
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Chapter and Conference Paper
Collective and Independent-Particle Motion in Simple Atoms and Molecules: a Unification?
The evidence is reviewed that implies electrons in doubly-excited states of helium behave like the atoms of a linear triatomic molecule. The relation between molecule-like collective motion and independent- pa...
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Chapter and Conference Paper
Are Atoms and Small Molecules Almost the Same?
A basis is laid for interpreting the electronic structure of atoms, the atomic structure of molecules and clusters, and perhaps eventually the nucleonic structure of nuclei on something of a common basis. The ...
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Chapter
Symmetry and Thermodynamics from Structured Molecules to Liquid Drops
By idealizing both limits, one can construct a correlation diagram for the quantum states of a system of N identical particles whose extremes are a molecule-like polyhedron with separable vibrations and rigid-...
