Cover Image, Volume 116, Issue 18.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 18, p. i, doi. 10.1002/qua.25213
- Publication type:
- Article
Works matching IS 00207608 AND DT 2016 AND VI 116 AND IP 18
Results: 9
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Energy-surfaces from the upper bound of the Pauli kinetic energy.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 18, p. 1337, doi. 10.1002/qua.25181
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- Publication type:
- Article
3
Quantum chemistry beyond Born-Oppenheimer approximation on a quantum computer: A simulated phase estimation study.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 18, p. 1328, doi. 10.1002/qua.25176
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- Publication type:
- Article
4
Issue information.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 18, p. 1323, doi. 10.1002/qua.25214
- Publication type:
- Article
5
Automatic code generation for quantum chemistry applications.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 18, p. 1370, doi. 10.1002/qua.25187
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- Publication type:
- Article
6
Electronic structure and conformational analysis of P218: An antimalarial drug candidate.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 18, p. 1362, doi. 10.1002/qua.25189
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- Publication type:
- Article
7
Thiocyanate-free ruthenium(II) tetrabenzoporphyrin sensitizers for photoelectrochemical cell: A DFT/TD-DFT probe for stability of axial donor ligands.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 18, p. 1342, doi. 10.1002/qua.25182
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- Publication type:
- Article
8
Electron density properties and metallophilic interactions of gold halides AuX<sub>2</sub> and Au<sub>2</sub>X (X = F-I): Ab Initio calculations.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 18, p. 1350, doi. 10.1002/qua.25183
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- Publication type:
- Article
9
Geometric and electronic structures of silicon fluorides.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 18, p. 1358, doi. 10.1002/qua.25184
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- Publication type:
- Article