Skip to search form
Skip to main content
Skip to account menu
Semantic Scholar
Semantic Scholar's Logo
Search 218,182,830 papers from all fields of science
Search
Sign In
Create Free Account
Electron shell
Known as:
Electron shells
, Shell Atomic Model
, D-shell
Expand
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
(opens in a new tab)
Create Alert
Alert
Related topics
Related topics
10 relations
Buckingham potential
Energy level
Fine electronic structure
Hydrogen-like atom
Expand
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
Review
2009
Review
2009
Adsorbates on graphene: Impurity states and electron scattering
T. Wehling
,
M. Katsnelson
,
A. Lichtenstein
2009
Corpus ID: 53988028
Highly Cited
2009
Highly Cited
2009
First-principles study of substitutional metal impurities in graphene: structural, electronic and magnetic properties
E. Santos
,
A. Ayuela
,
D. Sánchez-Portal
2009
Corpus ID: 32490645
We present a theoretical study using density functional calculations of the structural, electronic and magnetic properties of 3d…
Expand
Highly Cited
2006
Highly Cited
2006
Understanding the eighteen-electron rule
P. Pyykkö
2006
Corpus ID: 73702457
Highly Cited
2005
Highly Cited
2005
Chapter 41 – Advances in electronic structure theory: GAMESS a decade later
M. Gordon
,
Michael W. Schmidt
2005
Corpus ID: 51850388
Highly Cited
1997
Highly Cited
1997
The prediction of molecular equilibrium structures by the standard electronic wave functions
T. Helgaker
,
J. Gauss
,
P. Jørgensen
,
J. Olsen
1997
Corpus ID: 55789895
A systematic investigation has been carried out of the accuracy of molecular equilibrium structures of 19 small closed-shell…
Expand
Highly Cited
1997
Highly Cited
1997
Ab initio statistical thermodynamical models for the computation of third-law entropies
A. L. East
,
L. Radom
1997
Corpus ID: 56277080
Third-law gas-phase statistical entropies are computed for a variety of closed-shell singlet state species using standard…
Expand
Highly Cited
1995
Highly Cited
1995
Different forms of the zeroth-order Hamiltonian in second-order perturbation theory with a complete active space self-consistent field reference function
K. Andersson
1995
Corpus ID: 94997253
SummaryA new one-particle zeroth-order Hamiltonian is proposed for perturbation theory with a complete active space self…
Expand
Highly Cited
1994
Highly Cited
1994
Considerations in constructing a multireference second‐order perturbation theory
P. Kozlowski
,
E. Davidson
1994
Corpus ID: 34854741
Several possible definitions for a multireference second‐order perturbation theory are suggested. These are tested against some…
Expand
Highly Cited
1993
Highly Cited
1993
Semidirect MP2 gradient evaluation on workstation computers: The MPGRAD program
F. Haase
,
R. Ahlrichs
Journal of Computational Chemistry
1993
Corpus ID: 34603711
A semidirect implementation of the closed‐shell MP2 gradient for efficient use on workstation computers is presented. The…
Expand
Highly Cited
1974
Highly Cited
1974
Phonon dispersion and phonon densities of states for ZnS and ZnTe
N. Vagelatos
,
D. Wehe
,
J. S. King
1974
Corpus ID: 21829579
Neutron scattering data are reported for II–VI zincblende crystals, which are believed to be of sufficient precision to refine…
Expand
By clicking accept or continuing to use the site, you agree to the terms outlined in our
Privacy Policy
(opens in a new tab)
,
Terms of Service
(opens in a new tab)
, and
Dataset License
(opens in a new tab)
ACCEPT & CONTINUE