Ab initio density functional study of MgO (001) surface with topological defects.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 6, p. 919, doi. 10.1002/qua.20578
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2005 AND VI 104 AND IP 6
Results: 10
1
2
Studies on some singular potentials in quantum mechanics.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 6, p. 861, doi. 10.1002/qua.20608
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- Publication type:
- Article
3
Exact electronic properties in the classically forbidden region of a metal surface.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 6, p. 929, doi. 10.1002/qua.20609
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- Publication type:
- Article
4
Effect of dense plasma on the spectral properties of hydrogenic ions.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 6, p. 903, doi. 10.1002/qua.20610
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- Publication type:
- Article
5
Lower bounds to the Weizsäcker energy.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 6, p. 880, doi. 10.1002/qua.20611
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- Publication type:
- Article
6
Algebraic modifications to second quantization for non-Hermitian complex scaled hamiltonians with application to a quadratically convergent multiconfigurational self-consistent field method.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 6, p. 871, doi. 10.1002/qua.20612
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- Publication type:
- Article
7
Chiral tetrahedrons as unitary quaternions: Molecules and particles under the same standard?
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 6, p. 885, doi. 10.1002/qua.20613
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- Publication type:
- Article
8
NBO-based CI/MP through-space/bond interaction analysis and its application to stereoelectronic effects in S<sub>N</sub>2 reactions.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 6, p. 911, doi. 10.1002/qua.20614
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- Publication type:
- Article
9
Fuzzy fragment selection strategies, basis set dependence and HF–DFT comparisons in the applications of the ADMA method of macromolecular quantum chemistry.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 6, p. 847, doi. 10.1002/qua.20616
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- Publication type:
- Article
10
Quantum dynamics of relaxation of a pair of coupled Morse oscillators: Effects of mass and electrical asymmetries.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 6, p. 894, doi. 10.1002/qua.20647
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- Publication type:
- Article