An accurate and efficient procedure of fitting electric field potential by point charges for QM/MM calculations.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2030, doi. 10.1002/pssb.200666811
- By:
- Publication type:
- Article
Works matching IS 03701972 AND DT 2006 AND VI 243 AND IP 9
Results: 23
1
2
Confinement effects in the optical properties of semiconductor nanocrystals.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2151, doi. 10.1002/pssb.200666822
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- Publication type:
- Article
3
Electron transport through single alkane molecules with different contact geometries on gold.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2021, doi. 10.1002/pssb.200666804
- By:
- Publication type:
- Article
4
Electronic structure of Pd-covered (10,0) carbon nanotube.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2164, doi. 10.1002/pssb.200666815
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- Publication type:
- Article
5
Structure and energy of the partial dislocation cores in GaAs.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2122, doi. 10.1002/pssb.200666808
- By:
- Publication type:
- Article
6
First-principles studies of the electronic structure of cyclopentene on Si(001): density functional theory and GW calculations.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2048, doi. 10.1002/pssb.200666819
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- Publication type:
- Article
7
Tuning the Schottky barrier height in metal-alkaline earth oxide interfaces.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2081, doi. 10.1002/pssb.200666810
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- Publication type:
- Article
8
Electronic structure of Co<sub>1- x </sub>Fe<sub> x </sub>S<sub>2</sub>.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2117, doi. 10.1002/pssb.200666821
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- Publication type:
- Article
9
Defect energy states in high-K gate oxides.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2071, doi. 10.1002/pssb.200666803
- By:
- Publication type:
- Article
10
Pressure induced high spin to low spin transition in magnesiowüstite.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2111, doi. 10.1002/pssb.200666814
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- Publication type:
- Article
11
Effect of Sr adsorption on stability of and epitaxial SrTiO<sub>3</sub> growth on Si(001) surface.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2098, doi. 10.1002/pssb.200666807
- By:
- Publication type:
- Article
12
Preface: phys. stat. sol. (b) 243/9.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2019, doi. 10.1002/pssb.200690016
- By:
- Publication type:
- Article
13
Epitaxial multiferroic hexagonal manganite thin films grown on ZnO.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2085, doi. 10.1002/pssb.200666820
- By:
- Publication type:
- Article
14
Band structure of functional oxides by screened exchange and the weighted density approximation.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2054, doi. 10.1002/pssb.200666802
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- Publication type:
- Article
15
Using the PRIMME eigensolver in materials science applications.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2198, doi. 10.1002/pssb.200666813
- By:
- Publication type:
- Article
16
Spin-polarized electronic structure of Mn-IV-V<sub>2</sub> chalcopyrites.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2159, doi. 10.1002/pssb.200666806
- By:
- Publication type:
- Article
17
Theory of spintronic materials.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2133, doi. 10.1002/pssb.200666817
- By:
- Publication type:
- Article
18
Computer simulations of protein translocation.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2015, doi. 10.1002/pssb.200690015
- By:
- Publication type:
- Article
19
One-dimensional surface states induced by segregated impurities at transition-metal surfaces.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2105, doi. 10.1002/pssb.200666801
- By:
- Publication type:
- Article
20
Computer simulations of protein translocation.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2038, doi. 10.1002/pssb.200666812
- By:
- Publication type:
- Article
21
Resistance switching in perovskite thin films.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2089, doi. 10.1002/pssb.200666805
- By:
- Publication type:
- Article
22
Diagonalization methods in PARSEC.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2188, doi. 10.1002/pssb.200666816
- By:
- Publication type:
- Article
23
Carrier-mediated stabilization of ferromagnetism in semiconductors: holes and electrons.
- Published in:
- Physica Status Solidi (B), 2006, v. 243, n. 9, p. 2170, doi. 10.1002/pssb.200666809
- By:
- Publication type:
- Article