A noble interaction: An assessment of noble gas binding ability of metal oxides (metal = Cu, Ag, Au).
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 13, p. 1016, doi. 10.1002/qua.25121
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2016 AND VI 116 AND IP 13
Results: 10
1
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A QTAIM and stress tensor perspective of large-amplitude motions of the tetrasulfur tetranitride S<sub>4</sub>N<sub>4</sub> molecular graph.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 13, p. 1025, doi. 10.1002/qua.25122
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- Publication type:
- Article
3
Neural network and ReaxFF comparison for Au properties.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 13, p. 979, doi. 10.1002/qua.25115
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- Article
4
Additivity in kramers pairs symmetry: Multiplets with up to four unpaired electrons.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 13, p. 1040, doi. 10.1002/qua.25123
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- Publication type:
- Article
5
Cover Image, Volume 116, Issue 13.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 13, p. i, doi. 10.1002/qua.25164
- Publication type:
- Article
6
Issue information.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 13, p. 973, doi. 10.1002/qua.25165
- Publication type:
- Article
7
Erratum: Gaussian approximation potentials: A brief tutorial introduction.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 13, p. 1049, doi. 10.1002/qua.25140
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- Publication type:
- Article
8
Density functional theory study of the reactivity and electronic structure of the transesterification of triacetin in biodiesel production via a sulfated zirconia heterogeneous catalysis.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 13, p. 988, doi. 10.1002/qua.25116
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- Publication type:
- Article
9
Structural, electronic, and magnetic properties of 3d transition metal doped GaN nanosheet: A first-principles study.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 13, p. 1000, doi. 10.1002/qua.25118
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- Article
10
Computational studies of stable hexanuclear Cu<sub> l</sub>Ag<sub> m</sub>Au<sub> n</sub> ( l + m + n = 6; l, m, n > 0) clusters.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 13, p. 1006, doi. 10.1002/qua.25119
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- Publication type:
- Article