Repulsive Molecular State
Mostrando 1-4 de 4 artigos, teses e dissertações.
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1. Photoassociative ionization in situations with low dimensions / Investigação do processo de foto-ionização associativa em situações com baixa dimensão
Photoassociative ionization (PAI) in a cold sample of sodium atoms was the main subject of our studies as a way to understand the effects of repulsive states and collision dimensions. Two-color PAI experiment were preformed in a magneto-optical trap (MOT) trough the addition of a probe laser beam, the intensity, polarization and frequency of that probe laser
Publicado em: 2009
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2. Orbital picture in molecular inner-shell excited states of Rydberg-valence mixed character
The core-to-sigma* excited state is repulsive for the bond elongation; on the other hand, the core ionized state and the core-to-pi* state are bound and the core-to-Rydberg states are almost parallel to the potential energy curve of the core ionized state. Thus, the core-electron excitation to the unoccupied sigma* orbital can be mixed with the one-electron
Brazilian Journal of Physics. Publicado em: 2005-12
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3. Molecular crowding enhances native state stability and refolding rates of globular proteins
The presence of macromolecules in cells geometrically restricts the available space for poplypeptide chains. To study the effects of macromolecular crowding on folding thermodynamics and kinetics, we used an off-lattice model of the all-β-sheet WW domain in the presence of large spherical particles whose interaction with the polypeptide chain is purely repu
National Academy of Sciences.
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4. Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model
We present an extension of the TIP4P-QDP model, TIP4P-QDP-LJ, that is designed to couple changes in repulsive and dispersive nonbond interactions to changes in polarizability. Polarizability is intimately related to the dispersion component of classical force field models of interactions, and we explore the effect of incorporating this connection explicitly
American Institute of Physics.