Skip to search formSkip to main content
You are currently offline. Some features of the site may not work correctly.

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
Wikipedia

Related topics

Related topics

10 relations
Buckingham potentialEnergy levelFine electronic structureHydrogen-like atom
Expand

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
Highly Cited
2014
Highly Cited
2014
Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells
We report a model describing the molecular orientation disorder in CH3NH3PbI3, solving a classical Hamiltonian parametrised with… Expand
  • figure 1
  • figure 2
  • figure 3
  • figure 4
Is this relevant?
Highly Cited
2012
Highly Cited
2012
M11-L: A Local Density Functional That Provides Improved Accuracy for Electronic Structure Calculations in Chemistry and Physics
Local approximations to the exchange-correlation functional are of special interest because of their cost advantages and their… Expand
  • table 1
  • figure 1
  • table 3
Is this relevant?
Highly Cited
2007
Highly Cited
2007
A multiplatform code for the analysis of energy-dispersive X-ray fluorescence spectra
A user friendly program for X-ray fluorescence analysis has been developed at the European Synchrotron Radiation Facility. The… Expand
  • figure 2
  • figure 1
Is this relevant?
Highly Cited
2005
Highly Cited
2005
Chapter 41 – Advances in electronic structure theory: GAMESS a decade later
Publisher Summary This chapter focuses on the new developments in electronic structure theory during the past decade. These… Expand
Is this relevant?
Highly Cited
2004
Highly Cited
2004
The Vibronic Structure of Electronic Absorption Spectra of Large Molecules: A Time-Dependent Density Functional Study on the Influence of “Exact” Hartree−Fock Exchange
The functional dependence of excited-state geometries and normal modes calculated with time-dependent density functional theory… Expand
  • figure 1
  • table 1
  • figure 3
  • figure 4
  • figure 6
Is this relevant?
Highly Cited
1998
Highly Cited
1998
S-P HYBRIDIZATION AND ELECTRON SHELL STRUCTURES IN ALUMINUM CLUSTERS : A PHOTOELECTRON SPECTROSCOPY STUDY
Using photoelectron spectroscopy of size-selected Al{sub x}{sup {minus}} (x=1{endash}162) clusters, we studied the electronic… Expand
  • figure 1
  • figure 2
  • figure 3
  • figure 4
Is this relevant?
Highly Cited
1997
Highly Cited
1997
The prediction of molecular equilibrium structures by the standard electronic wave functions
A systematic investigation has been carried out of the accuracy of molecular equilibrium structures of 19 small closed-shell… Expand
  • table III
  • table II
  • figure 1
  • table IV
  • figure 2
Is this relevant?
Highly Cited
1997
Highly Cited
1997
Ab initio statistical thermodynamical models for the computation of third-law entropies
Third-law gas-phase statistical entropies are computed for a variety of closed-shell singlet state species using standard… Expand
  • table I
  • table II
  • table III
  • table IV
  • table V
Is this relevant?
Highly Cited
1996
Highly Cited
1996
Atomic Shell Structure and Electron Numbers
rn The electron localization function (ELF) was calculated for the atoms Li to Sr. The ELF maxima reveal the atomic shell… Expand
  • figure 2
  • figure 1
  • table I
  • table II
  • table 111
Is this relevant?
Highly Cited
1992
Highly Cited
1992
Fully optimized contracted Gaussian basis sets for atoms Li to Kr
Various contracted Gaussian basis sets for atoms up to Kr are presented which have been determined by optimizing atomic self… Expand
  • table I
  • table IV
  • table II
  • table V
  • figure 1
Is this relevant?
By clicking accept or continuing to use the site, you agree to the terms outlined in our Privacy Policy, Terms of Service, and Dataset License
ACCEPT & CONTINUE