Microscopic theory for insulator to metal transition in cuprates.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 7, p. 1829, doi. 10.1002/qua.23207
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2012 AND VI 112 AND IP 7
Results: 12
1
2
The role of hydrogen bonds in protein-ligand interactions. DFT calculations in 1,3-dihydrobenzimidazole-2 thione derivatives with glycinamide as model HIV RT inhibitors.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 7, p. 1786, doi. 10.1002/qua.23001
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- Publication type:
- Article
3
Dynamic monte carlo simulations of NO decomposition on Pt(100): Temperature-programmed desorption spectra.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 7, p. 1803, doi. 10.1002/qua.23056
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- Publication type:
- Article
4
List of Participants.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 7, p. 1760, doi. 10.1002/qua.23257
- Publication type:
- Article
5
Conformational dependence of the electronic coupling in guanine-tryptophan complexes: A DFT study.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 7, p. 1838, doi. 10.1002/qua.23077
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- Publication type:
- Article
6
A theoretical study of the electronic structure of GaN nanorods.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 7, p. 1796, doi. 10.1002/qua.23010
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- Publication type:
- Article
7
Computational study of the catalytic effect of platinum on the decomposition of DNT.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 7, p. 1852, doi. 10.1002/qua.23164
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- Publication type:
- Article
8
Bond order uniform grids for quantum reactive scattering.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 7, p. 1818, doi. 10.1002/qua.23058
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- Publication type:
- Article
9
Molecular dynamics study of aggregation of amyloidogenic peptides in explicit water.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 7, p. 1844, doi. 10.1002/qua.23098
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- Publication type:
- Article
10
Introduction.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 7, p. 1759, doi. 10.1002/qua.23248
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- Publication type:
- Article
11
Transferability of conformational dependent charges from protein simulations.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 7, p. 1768, doi. 10.1002/qua.22967
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- Publication type:
- Article
12
A molecular dynamics study of sodium dodecyl sulfate-methane system in water using the improved lennard jones formulation.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 7, p. 1810, doi. 10.1002/qua.23060
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- Publication type:
- Article