Theory of Monte Carlo simulations of the magnetic circular dichroism spectra of alkali metal/rare gas systems.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 6, p. 854, doi. 10.1002/qua.20270
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2005 AND VI 103 AND IP 6
Results: 10
1
2
Luminescent compounds diphenylboron analogs of Alq<sub>3</sub> and its methyl substituents: A theoretical investigation of their electronic and spectroscopic properties.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 6, p. 775, doi. 10.1002/qua.20491
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- Article
3
BSSE-corrected geometry and harmonic and anharmonic vibrational frequencies of formamide–water and formamide–formamide dimers.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 6, p. 841, doi. 10.1002/qua.20536
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- Publication type:
- Article
4
A theoretical study of electronic and vibrational properties of neutral, cationic, and anionic B<sub>24</sub> clusters.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 6, p. 866, doi. 10.1002/qua.20537
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- Publication type:
- Article
5
A canonical sequence approach to the E ⊗ ℇ Jahn–Teller effect.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 6, p. 792, doi. 10.1002/qua.20538
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- Publication type:
- Article
6
On the original proof by reductio ad absurdum of the Hohenberg–Kohn theorem for many-electron Coulomb systems.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 6, p. 818, doi. 10.1002/qua.20539
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- Publication type:
- Article
7
Dynamical symmetry analysis of ionization and harmonic generation of atoms in bichromatic laser pulses.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 6, p. 824, doi. 10.1002/qua.20541
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- Article
8
Kernel energy method illustrated with peptides.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 6, p. 808, doi. 10.1002/qua.20542
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- Publication type:
- Article
9
Generalized formulation of quantum and classical crystallography using Green's functions.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 6, p. 781, doi. 10.1002/qua.20560
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- Publication type:
- Article
10
Atomic decomposition of identity: General formalism for population analysis and energy decomposition.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 6, p. 798, doi. 10.1002/qua.20561
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- Publication type:
- Article