F<sub>2</sub> dimer: Improved intermolecular potential energy surface using ab initio calculations.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 20, p. 1477, doi. 10.1002/qua.25216
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2016 AND VI 116 AND IP 20
Results: 8
1
2
Oxygen dissociation on palladium and gold core/shell nanoparticles.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 20, p. 1486, doi. 10.1002/qua.25217
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- Publication type:
- Article
3
Cover Image, Volume 116, Issue 20.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 20, p. i, doi. 10.1002/qua.25231
- Publication type:
- Article
4
Issue information.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 20, p. 1437, doi. 10.1002/qua.25232
- Publication type:
- Article
5
Revisiting alternative pathways in the Fischer-Tropsch process: Accurate density functional theory calculations on 'magic' Ru<sub>12</sub> clusters.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 20, p. 1451, doi. 10.1002/qua.25200
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- Publication type:
- Article
6
Computational study of structure, electronic, and microscopic charge transport properties of small conjugated diketopyrrolopyrrole-thiophene molecules.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 20, p. 1459, doi. 10.1002/qua.25205
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- Publication type:
- Article
7
Comparative QM/MM studies of H<sub>2</sub> adsorption on lithium doped single walled armchair and zigzag nanotubes: SiCNT, GeCNT, and SnCNT.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 20, p. 1467, doi. 10.1002/qua.25208
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- Publication type:
- Article
8
Analogies between Jahn-Teller and Rashba spin physics.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 20, p. 1442, doi. 10.1002/qua.25209
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- Publication type:
- Article