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Kekulé Program

Known as: Kekule Program, Kekulé 
Kekulé was a program named after the chemist Friedrich August Kekulé von Stradonitz. The program was created starting in about 1990 by Joe McDaniel… Expand
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Highly Cited
2018
Highly Cited
2018
Using large-scale quantum Monte Carlo simulations, we exactly solve a model of Fermions hopping on the honeycomb lattice with… Expand
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2016
2016
We study the quantum phase transition of $U(1)$ charged Dirac fermions Yukawa coupled to the Kekul\'e valence-bond-solid order… Expand
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Highly Cited
2010
Highly Cited
2010
Abstract To examine the strengths and limitations of the time-dependent density functional theory in calculating the absorption… Expand
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2010
2010
Electronic structure of graphene monolayer-bilayer junction in a magnetic field is studied within an effective-mass approximation… Expand
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Highly Cited
2002
Highly Cited
2002
Usually, students learn more if the method of instruction matches their learning style. Since Physics and Chemistry deal with… Expand
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2001
2001
The effect of cyclopentafusion on the aromatic properties of pyrene and its cyclopentafused congeners has been studied by… Expand
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1998
1998
After the fullerenes have been found, it is a natural question to ask whether there are torus-shaped »graphitoid« carbon… Expand
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Highly Cited
1996
Highly Cited
1996
Relative energies for different multiplets of trimethylenemethane and methylenecyclopropane are calculated at MCSCF, CASPT2N, and… Expand
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Highly Cited
1994
Highly Cited
1994
ion acceptor number (AN) acid acidity acidity function activated complex activation energy See energy of activation. addend See… Expand
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Highly Cited
1986
Highly Cited
1986
The Kekulé description of benzene as a mixture of the two structures and was given a firm foundation in quantum theory as a… Expand
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