Skip to search form
Skip to main content
Skip to account menu
Semantic Scholar
Semantic Scholar's Logo
Search 231,756,028 papers from all fields of science
Search
Sign In
Create Free Account
Open shell
Known as:
Closed shell
In the context of atomic orbitals, an open shell is a valence shell which is not completely filled with electrons or that has not given all of its…
Expand
Wikipedia
(opens in a new tab)
Create Alert
Alert
Related topics
Related topics
7 relations
Anna Krylov
Hartree–Fock method
Jahn–Teller effect
Molecular orbital
Expand
Broader (1)
Computational chemistry
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2012
2012
A Trinuclear Silver Coordination Polymer from a Bipyridine Bis-Urea Macrocyclic Ligand and Silver Triflate
S. Dawn
,
Sahan R. Salpage
,
Mark D. Smith
,
Shiv k. Sharma
,
Linda S. Shimizu
2012
Corpus ID: 53330877
2009
2009
GENERALIZED MULTICONFIGURATION MODEL OF DECAY OF MULTIPOLE GIANT RESONANCES APPLIED TO ANALYSIS OF REACTION (μ - n) ON THE NUCLEUS 40Ca
A. Glushkov
,
L. Lovett
,
O. Khetselius
,
E. Gurnitskaya
,
Y. Dubrovskaya
,
A. Loboda
2009
Corpus ID: 122107285
It is presented the generalized multiconfiguration model to decay of the multipole giant resonances (MGR), which is based on the…
Expand
Highly Cited
2008
Highly Cited
2008
Scioto: A Framework for Global-View Task Parallelism
James Dinan
,
S. Krishnamoorthy
,
D. B. Larkins
,
J. Nieplocha
,
P. Sadayappan
International Conference on Parallel Processing
2008
Corpus ID: 5349911
We introduce Scioto, shared collections of task objects, a lightweight framework for providing task management on distributed…
Expand
2002
2002
Relativistic Mean-Field Theory with the Pion in Finite Nuclei
H. Toki
,
S. Sugimoto
,
K. Ikeda
2002
Corpus ID: 55523190
We study the possibility of the existence of a finite pion mean field in finite nuclei in the relativistic mean-field (RMF…
Expand
2002
2002
Optimal Selection of Partial Charge Calculation Method for Rapid Estimation of Enthalpies of Formation from Hartree-Fock Total Energy
A. Ruzsinszky
,
C. Alsenoy
,
G. Csonka
2002
Corpus ID: 97577349
The rapid estimation of basis set error and correlation energy from partial charges (REBECEP) method is improved further in…
Expand
Highly Cited
1992
Highly Cited
1992
Model calculations of doubly closed shell nuclei in CBF theory: II. One body density matrix and momentum distribution
G. Co’
,
A. Fabrocini
,
S. Fantoni
1992
Corpus ID: 14245223
Review
1991
Review
1991
Methods for production of radical ions in low temperature matrices for electronic spectroscopy
H. Iwamura
,
D. F. Eaton
1991
Corpus ID: 95956714
The methods and techniques of producing radical ions in low temperature matrices are reviewed. The methods are compared and…
Expand
1987
1987
Insertion of methylene into ethane and cyclopropane
M. Gordon
,
J. Boatz
,
D. R. Gano
,
M. Friederichs
1987
Corpus ID: 95856215
The insertions of methylene into the CH and CC bonds of ethane and into a CC bond of cyclopropane are calculated by using third…
Expand
Highly Cited
1984
Highly Cited
1984
Carbene and Silylene Insertion Reactions. Ab Initio Calculations on the Effects of Fluorine Substitution
C. Sosa
,
H. Schlegel
1984
Corpus ID: 5339896
The insertion reactions of CH,, CHF, CF2, SiH2, SiHF, and SiF2 into hydrogen molecule have been investigated by ab initio…
Expand
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…
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