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Electron shell
Known as:
Electron shells
, Shell Atomic Model
, D-shell
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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 potential
Energy level
Fine electronic structure
Hydrogen-like atom
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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
E. Kamarchik
,
Lucas Koziol
,
H. Reisler
,
J. Bowman
,
A. Krylov
2010
Corpus ID: 14896081
We report molecular dynamics simulations of the unimolecular dissociation of energetic C2H4OH radicals using a full-dimensional…
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2009
2009
Stabilizing a molecular switch at solid surfaces: A density functional theory study of azobenzene on Cu(111), Ag(111), and Au(111)
E. McNellis
,
Jörg Meyer
,
Abbas Dehghan Baghi
,
K. Reuter
2009
Corpus ID: 55599939
We present a density-functional theory trend study addressing the binding of the trans-cis conformationalswitch azobenzene C6H5-N…
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Highly Cited
2006
Highly Cited
2006
First principles study of CdSe quantum dots: Stability, surface unsaturations, and experimental validation
M. Yu
,
G. Fernando
,
Rongfu Li
,
F. Papadimitrakopoulos
,
N. Shi
,
R. Ramprasad
2006
Corpus ID: 122134401
Ab initio computational studies were performed for CdSe nanocrystals over a wide range of sizes and topologies. Substantial…
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Highly Cited
1996
Highly Cited
1996
TRIMETHYLENEMETHANE. COMPARISON OF MULTICONFIGURATION SELF-CONSISTENT FIELD AND DENSITY FUNCTIONAL METHODS FOR A NON-KEKULE HYDROCARBON
Christopher J. Cramer and
,
Bradley A. Smith
1996
Corpus ID: 5619766
Relative energies for different multiplets of trimethylenemethane and methylenecyclopropane are calculated at MCSCF, CASPT2N, and…
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Highly Cited
1988
Highly Cited
1988
Synthesis and transport properties of 12-silacrown-3, a new type of anion complexing agent
M. Jung
,
H. Xia
1988
Corpus ID: 95890813
Highly Cited
1987
Highly Cited
1987
Laser sputtering generation of B2 for ESR matrix isolation studies: comparison with ab initio CI theoretical calculations
L. B. Knight
,
B. Gregory
,
Scott T. Cobranchi
,
D. Feller
,
E. Davidson
1987
Corpus ID: 53636052
The /sup 11/B/sub 2/ molecule has been trapped in neon and argon matrices at 5 +/- 1 K for ESR (electron spin resonance…
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Review
1979
Review
1979
Local position of Fe 3+ in ferroelectric BaTiO 3
E. Siegel
,
K. Muller
1979
Corpus ID: 43526734
-The EPR spectra of Fe3+ in the three ferroelectric phases of BaTi03 could be interpreted on the basis of the Newman…
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Highly Cited
1968
Highly Cited
1968
Computation of molecular properties and structure
A. D. McLean
,
M. Yoshimine
1968
Corpus ID: 110780748
A discussion of general-purpose computer programs in theoretical chemistry is given, followed by a description of the procedures…
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Highly Cited
1966
Highly Cited
1966
Hartree-Fock Calculation for Finite Nuclei with a Nonlocal Two-Body Potential
A. Kerman
,
J. Svenne
,
F. Villars
1966
Corpus ID: 121732663
An application of the Hartree-Fock method to calculation of the structure of finite nuclei is presented. The nonlocal, separable…
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Highly Cited
1957
Highly Cited
1957
CENTER-OF-GRAVITY THEOREM IN NUCLEAR SPECTROSCOPY
R. D. Lawson
,
J. Uretsky
1957
Corpus ID: 120798582
The j-j coupling shell model implies the existence of certain geometrical relations among the spectra of neighboring nuclei. One…
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