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Electron shell

Known as: Electron shells, Shell Atomic Model, D-shell 
In chemistry and atomic physics, an electron shell, or a principal energy level, may be thought of as an orbit followed by electrons around an atom's… Expand
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Highly Cited
2014
Highly Cited
2014
We report a model describing the molecular orientation disorder in CH3NH3PbI3, solving a classical Hamiltonian parametrised with… Expand
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Highly Cited
2012
Highly Cited
2012
Local approximations to the exchange-correlation functional are of special interest because of their cost advantages and their… Expand
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Highly Cited
2007
Highly Cited
2007
A user friendly program for X-ray fluorescence analysis has been developed at the European Synchrotron Radiation Facility. The… Expand
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Highly Cited
2005
Highly Cited
2005
Publisher Summary This chapter focuses on the new developments in electronic structure theory during the past decade. These… Expand
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Highly Cited
2004
Highly Cited
2004
The functional dependence of excited-state geometries and normal modes calculated with time-dependent density functional theory… Expand
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Highly Cited
1998
Highly Cited
1998
Using photoelectron spectroscopy of size-selected Al{sub x}{sup {minus}} (x=1{endash}162) clusters, we studied the electronic… Expand
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Highly Cited
1997
Highly Cited
1997
A systematic investigation has been carried out of the accuracy of molecular equilibrium structures of 19 small closed-shell… Expand
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Highly Cited
1997
Highly Cited
1997
Third-law gas-phase statistical entropies are computed for a variety of closed-shell singlet state species using standard… Expand
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Highly Cited
1996
Highly Cited
1996
rn The electron localization function (ELF) was calculated for the atoms Li to Sr. The ELF maxima reveal the atomic shell… Expand
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Highly Cited
1992
Highly Cited
1992
Various contracted Gaussian basis sets for atoms up to Kr are presented which have been determined by optimizing atomic self… Expand
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