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Quadratic configuration interaction
Known as:
QCI
, QCISD
Quadratic configuration interaction (QCI) is an extension of configuration interaction that corrects for size-consistency errors in single and double…
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Related topics
Related topics
10 relations
Ab initio quantum chemistry methods
Configuration interaction
Coupled cluster
Gaussian (software)
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Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2020
2020
Reduced-order observer-based robust leader-following control of heterogeneous discrete-time multi-agent systems with system uncertainties
Yuliang Cai
,
Huaguang Zhang
,
Yuling Liang
,
Zhiyun Gao
Applied intelligence (Boston)
2020
Corpus ID: 211080999
In this paper, the leader-following control of heterogeneous discrete-time multi-agent systems (HD_MASs) in the presence of…
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2012
2012
UV-induced photoisomerization of maleic hydrazide
I. Reva
,
Bruno J. A. N. Almeida
,
L. Lapinski
,
R. Fausto
2012
Corpus ID: 13810495
2005
2005
A correlated study of linear optical absorption in tetracene and pentacene
P. Sony
,
Alok Shukla
2005
Corpus ID: 56398219
2003
2003
Thermal fragmentation of 3-vinyloxetane: A quantum chemical study
S. Calvo-Losada
,
F. Enríquez
,
J. Martín-Ortiz
,
J. Quirante
2003
Corpus ID: 56199525
3-Vinyloxetane undergoes fast thermal fragmentation as compared with oxetane or alkyloxetanes. To explain this kinetic effect, a…
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2002
2002
Analysis of the effect of changing the a0 parameter of the Becke3-LYP hybrid functional on the transition state geometries and energy barriers in a series of prototypical reactions
Jordi Poater
,
M. Solà
,
M. Duran
,
J. Robles
2002
Corpus ID: 55878821
A series of eleven gas-phase chemical reactions have been examined to assess the dependence of transition state geometries and…
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2000
2000
On the possible formation of Si=O, Si=S, and Si=Se double bonds via the reaction of silylenes with oxirane, thiirane, and selenirane, respectively. An ab initio theoretical study
Y. Apeloig
,
S. Sklenak
2000
Corpus ID: 97832136
The reactions between silylene, H2Si, and the three-membered ring compounds, oxirane (9), thiirane (10), and selenirane (11…
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Highly Cited
1998
Highly Cited
1998
Properties of Diazocarbene (CNN) and the Diazomethyl Radical (HCNN) via Ion Chemistry and Spectroscopy
Eileen P. Clifford
,
P. Wenthold
,
+7 authors
G. Ellison
1998
Corpus ID: 97109375
138.4 ( 0.7 kcal mol -1 . We recommend revised experimental values for ¢fH0(HCN) ) 30.9 ( 0.7 kcal mol -1 and ¢fH298(HCN) ) 30.8…
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Highly Cited
1996
Highly Cited
1996
Investigation of the reliability of density functional methods: Reaction and activation energies for Si–Si bond cleavage and H2 elimination from silanes
P. Nachtigall
,
K. Jordan
,
A. P. Smith
,
H. Jónsson
1996
Corpus ID: 38975098
In order to test the reliability of plane‐wave and Gaussian‐orbital based DFT methods for calculating reaction energies and…
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Highly Cited
1995
Highly Cited
1995
The geometry of pyrazole: A test for ab initio calculations
A. Llamas-Saiz
,
C. Foces-Foces
,
O. Mó
,
M. Yáñez
,
E. Elguero
,
J. Elguero
Journal of Computational Chemistry
1995
Corpus ID: 39216530
Ab initio calculations on the structure of pyrazole have been carried out at different levels of accuracy. At the Hartree‐Fock…
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1991
1991
Analysis of coupled cluster and quadratic configuration interaction theory in terms of sixth-order perturbation theory
Zhi He
,
D. Cremer
1991
Corpus ID: 37740782
The energy at sixth-order Mnller-Plesset (MP6) perturbation theory is given and dissected into 36 sizeconsistent energy…
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