Cover Image, Volume 119, Issue 9.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 9, p. N.PAG, doi. 10.1002/qua.25923
- Publication type:
- Article
Works matching IS 00207608 AND DT 2019 AND VI 119 AND IP 9
Results: 12
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Mechanistic insights into the efficient intramolecular chemiexcitation of dioxetanones from TD‐DFT and multireference calculations.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 9, p. N.PAG, doi. 10.1002/qua.25881
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- Publication type:
- Article
3
The isocloso capped pentagonal bipyramid versus the closo bisdisphenoid in hypoelectronic eight‐vertex metallaboranes having 16 skeletal electrons.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 9, p. N.PAG, doi. 10.1002/qua.25880
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- Publication type:
- Article
4
Understanding the role of noncovalent interactions on the rate of some Diels‐Alder reactions in different solvents.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 9, p. N.PAG, doi. 10.1002/qua.25878
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- Publication type:
- Article
5
Formation of aqua and tetraammine Cu(II) complexes inside the cavities of cucurbit[6,8]urils: A DFT forecast.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 9, p. N.PAG, doi. 10.1002/qua.25877
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- Publication type:
- Article
6
Donor‐acceptor interactions: Transition metal carbonyl group ligand [TM(CO)<sub>6</sub>]<sup>q</sup> complexes. A case study at correlated level from the topological density point of view.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 9, p. N.PAG, doi. 10.1002/qua.25876
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- Article
7
Bound anionic states of DNA and RNA nucleobases: An EOM‐CCSD investigation.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 9, p. N.PAG, doi. 10.1002/qua.25875
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- Publication type:
- Article
8
Oxidation of Ni<sub>13</sub> clusters.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 9, p. N.PAG, doi. 10.1002/qua.25874
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- Publication type:
- Article
9
Identity of two types of strong Brønsted acid sites in mazzite revealed by CO probe: IR study and periodic DFT modeling.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 9, p. N.PAG, doi. 10.1002/qua.25873
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- Publication type:
- Article
10
Chemical machine learning with kernels: The impact of loss functions.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 9, p. N.PAG, doi. 10.1002/qua.25872
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- Publication type:
- Article
11
Enhanced Zintl anions by carbon doping in Al‐Na clusters and new magic structure Al<sub>6</sub>Na<sub>4</sub>C.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 9, p. N.PAG, doi. 10.1002/qua.25871
- By:
- Publication type:
- Article
12
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 9, p. N.PAG, doi. 10.1002/qua.25738
- Publication type:
- Article