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Long-term Patency of Venous Stent After Sharp Recanalization for Benign Superior Vena Cava Occlusion. [PDF]

open access: yesIn Vivo
Shima R   +9 more
europepmc   +1 more source

『デコ活』in Fukui

open access: yesJournal of the Atomic Energy Society of Japan
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FUKUI FUNCTION IN CHEMISTRY

ChemInform, 2002
AbstractFor Abstract see ChemInform Abstract in Full Text.
P. Fuentealba, R. Contreras
openaire   +1 more source

Polarization justified Fukui functions

The Journal of Chemical Physics, 2009
New Fukui functions have been derived within the conceptual density functional theory by the analysis of the polarization effect of a system in static electric field. Resulting Fukui functions accurately reproduce the global softness and electronic dipolar polarizability; they meet the condition ∫[f(r)/r]dr=−(∂μ/∂Z)N and lead to very reasonable values ...
Ludwik, Komorowski   +2 more
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Electron Correlation Effects on Fukui Functions

Computational and Theoretical Chemistry, 1996
Abstract The effect of electron correlation on the Fukui function f− (r) is studied for three closed shell molecules of the ambident nucleophile type using the Configuration Interaction with Single and Double excitations (CISD) method. These effects are shown to be of relatively small importance, thereby stressing the reliability of Hartree-Fock type
W Langenaeker
exaly   +3 more sources

Symmetry Conservation in Fukui Functions

Journal of Chemical Theory and Computation, 2009
The problem of symmetry breaking in the evaluation of Fukui functions is addressed. It is also demonstrated that a reliable solution of the problem can be achieved using analytic methods. An automatic method that avoids occurrence of symmetry breaks has been implemented in a computer code and is described here.
openaire   +2 more sources

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