Cover Image, Volume 119, Issue 6.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 6, p. N.PAG, doi. 10.1002/qua.25905
- Publication type:
- Article
Works matching IS 00207608 AND DT 2019 AND VI 119 AND IP 6
Results: 11
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Dieter Cremer's contribution to the field of theoretical chemistry.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 6, p. N.PAG, doi. 10.1002/qua.25849
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- Publication type:
- Article
3
Dess‐martin periodinane: The reactivity of a λ<sup>5</sup>‐iodane catalyst explained by topological analysis.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 6, p. N.PAG, doi. 10.1002/qua.25838
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- Article
4
Theoretical Density Functional Theory insights into the nature of chalcogen bonding between CX<sub>2</sub> (X = S, Se, Te) and diazine from monomer to supramolecular complexes.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 6, p. N.PAG, doi. 10.1002/qua.25837
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- Publication type:
- Article
5
A density functional theory study on mechanism and substituent effects of a base‐free and catalyst‐free synthesis of functionalized dihydrobenzoxazoles.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 6, p. N.PAG, doi. 10.1002/qua.25836
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- Publication type:
- Article
6
Prelude to molecular dynamics: Topography‐driven gaussian charge models.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 6, p. N.PAG, doi. 10.1002/qua.25835
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- Publication type:
- Article
7
Complexation of common metal cations by cyanins: Binding affinity and molecular structure.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 6, p. N.PAG, doi. 10.1002/qua.25834
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- Publication type:
- Article
8
Does the gradient‐regulated connection improve the description of correlated metal bond properties?
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 6, p. N.PAG, doi. 10.1002/qua.25831
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- Publication type:
- Article
9
Symmetry lowering by cage doping in spherical superatoms: Evaluation of electronic and optical properties of 18‐electron W@Au<sub>12</sub>Pt<sub>n</sub> (n = 0‐4) superatomic clusters from relativistic DFT calculations.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 6, p. N.PAG, doi. 10.1002/qua.25827
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- Publication type:
- Article
10
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 6, p. N.PAG, doi. 10.1002/qua.25735
- Publication type:
- Article
11
Robust metal‐pentagon interactions in the Th‐based endohedral metallofullerenes revealed by DFT calculations.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 6, p. N.PAG, doi. 10.1002/qua.25826
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- Publication type:
- Article