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Transition metal impurities in wide gap materials: are the electronic properties well described through the ligand field theory?
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 3, p. 665, doi. 10.1007/s00214-007-0355-x
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- Article
Neutral atoms in ionic lattices: Study of KCl:Ag<sup>0</sup>.
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- International Journal of Quantum Chemistry, 1997, v. 61, n. 4, p. 627, doi. 10.1002/(SICI)1097-461X(1997)61:4<627::AID-QUA3>3.0.CO;2-Y
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- Article
A microscopic insight into oscillator strengths: The charge transfer bands for CuCl<sup>2-</sup><sub>4</sub>.
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- International Journal of Quantum Chemistry, 1997, v. 61, n. 3, p. 563, doi. 10.1002/(SICI)1097-461X(1997)61:3<563::AID-QUA25>3.0.CO;2-8
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- Article
An insight into optical and EPR properties of AgCl.
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- International Journal of Quantum Chemistry, 1994, v. 52, n. 4, p. 1051, doi. 10.1002/qua.560520430
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- Article
The dependence of 10Dq upon the metal-ligand distance, R, for transition-metal complexes. What is its microscopic origin?
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- International Journal of Quantum Chemistry, 1994, v. 52, n. 4, p. 829, doi. 10.1002/qua.560520411
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- Article
Coupling with the Jahn-Teller mode for triplet states of MF<sub>6</sub> (M = Mn<sup>2+</sup>, Cr<sup>3+</sup>) complexes: Dependence on the M-F distance and influence on the stokes shift.
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- Physica Status Solidi (B), 1996, v. 196, n. 1, p. 193, doi. 10.1002/pssb.2221960119
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- Article
An Insight into the 10 Dq Value Found in CaZnF<sub>4</sub>:Mn<sup>2+</sup>.
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- Physica Status Solidi (B), 1984, v. 124, n. 1, p. K83, doi. 10.1002/pssb.2221240166
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- Article
A complex defect studied through DFT: The Fe<sup>3</sup>O<sup>2−</sup> pair in KMgF<sub>3</sub>.
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- International Journal of Quantum Chemistry, 2003, v. 91, n. 2, p. 197, doi. 10.1002/qua.10385
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- Article
DFT study of the JahnTeller impurity Rh<sup>2+</sup> in octahedral symmetry.
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- International Journal of Quantum Chemistry, 2003, v. 91, n. 2, p. 202, doi. 10.1002/qua.10389
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- Article
Optical spectroscopy of (C.
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- International Journal of Quantum Chemistry, 2002, v. 86, n. 2, p. 239, doi. 10.1002/qua.1605
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- Article