Recent advances in solid-state NMR computational spectroscopy: The case of alumino-silicate glasses.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 21, p. 1520, doi. 10.1002/qua.25134
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2016 AND VI 116 AND IP 21
Results: 11
1
2
From oxide to proton conduction: A quantum-chemical perspective on the versatility of Sr<sub>2</sub>Fe<sub>1.5</sub>Mo<sub>0.5</sub>O<sub>6−δ</sub>-based materials.
- Published in:
- 2016
- By:
- Publication type:
- Other
3
A new time-dependent density-functional method for molecular plasmonics: Formalism, implementation, and the Au<sub>144</sub>(SH)<sub>60</sub> case study.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 21, p. 1603, doi. 10.1002/qua.25175
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- Publication type:
- Article
4
Aiming at an accurate prediction of vibrational and electronic spectra for medium-to-large molecules: An overview.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 21, p. 1543, doi. 10.1002/qua.25188
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- Publication type:
- Article
5
Classical and quantum dynamics at surfaces: Basic concepts from simple models.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 21, p. 1575, doi. 10.1002/qua.25192
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- Publication type:
- Article
6
Integrated QM/polarizable MM/continuum approaches to model chiroptical properties of strongly interacting solute-solvent systems.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 21, p. 1532, doi. 10.1002/qua.25199
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- Publication type:
- Article
7
Computation modeling as a tool for the exploration of complex multistep reaction cycles in homogeneous catalysis. Some selected examples in the framework of the use of hydrogen as a fuel of the future.
- Published in:
- 2016
- By:
- Publication type:
- Other
8
Accurate molecular structures of small- and medium-sized molecules.
- Published in:
- 2016
- By:
- Publication type:
- Other
9
Issue information.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 21, p. 1493, doi. 10.1002/qua.25289
- Publication type:
- Article
10
Theoretical and computational chemistry in Italy.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 21, p. 1499, doi. 10.1002/qua.25291
- By:
- Publication type:
- Article
11
Cover Image, Volume 116, Issue 21.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 21, p. i, doi. 10.1002/qua.25288
- Publication type:
- Article