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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… 
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Related topics

Related topics

10 relations
Buckingham potentialEnergy levelFine electronic structureHydrogen-like atom

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
Highly Cited
2010
Highly Cited
2010
Roaming Pathway Leading to Unexpected Water + Vinyl Products in C2H4OH Dissociation
We report molecular dynamics simulations of the unimolecular dissociation of energetic C2H4OH radicals using a full-dimensional… 
2009
2009
Stabilizing a molecular switch at solid surfaces: A density functional theory study of azobenzene on Cu(111), Ag(111), and Au(111)
We present a density-functional theory trend study addressing the binding of the trans-cis conformationalswitch azobenzene C6H5-N… 
Highly Cited
2006
Highly Cited
2006
First principles study of CdSe quantum dots: Stability, surface unsaturations, and experimental validation
Ab initio computational studies were performed for CdSe nanocrystals over a wide range of sizes and topologies. Substantial… 
Highly Cited
1996
Highly Cited
1996
TRIMETHYLENEMETHANE. COMPARISON OF MULTICONFIGURATION SELF-CONSISTENT FIELD AND DENSITY FUNCTIONAL METHODS FOR A NON-KEKULE HYDROCARBON
Relative energies for different multiplets of trimethylenemethane and methylenecyclopropane are calculated at MCSCF, CASPT2N, and… 
Highly Cited
1988
Highly Cited
1988
Synthesis and transport properties of 12-silacrown-3, a new type of anion complexing agent
Highly Cited
1987
Highly Cited
1987
Laser sputtering generation of B2 for ESR matrix isolation studies: comparison with ab initio CI theoretical calculations
The /sup 11/B/sub 2/ molecule has been trapped in neon and argon matrices at 5 +/- 1 K for ESR (electron spin resonance… 
Review
1979
Review
1979
Local position of Fe 3+ in ferroelectric BaTiO 3
-The EPR spectra of Fe3+ in the three ferroelectric phases of BaTi03 could be interpreted on the basis of the Newman… 
Highly Cited
1968
Highly Cited
1968
Computation of molecular properties and structure
A discussion of general-purpose computer programs in theoretical chemistry is given, followed by a description of the procedures… 
Highly Cited
1966
Highly Cited
1966
Hartree-Fock Calculation for Finite Nuclei with a Nonlocal Two-Body Potential
An application of the Hartree-Fock method to calculation of the structure of finite nuclei is presented. The nonlocal, separable… 
Highly Cited
1957
Highly Cited
1957
CENTER-OF-GRAVITY THEOREM IN NUCLEAR SPECTROSCOPY
The j-j coupling shell model implies the existence of certain geometrical relations among the spectra of neighboring nuclei. One… 
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