Cover Image, Volume 118, Issue 23.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 23, p. N.PAG, doi. 10.1002/qua.25832
- Publication type:
- Article
Works matching IS 00207608 AND DT 2018 AND VI 118 AND IP 23
Results: 10
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Information theoretic approach provides a reliable description for kinetic component of correlation energy density functional.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 23, p. N.PAG, doi. 10.1002/qua.25791
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- Publication type:
- Article
3
Why the lowest electronic excitations of rhodamines are overestimated by time‐dependent density functional theory.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 23, p. N.PAG, doi. 10.1002/qua.25780
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- Publication type:
- Article
4
Density functional theory and ab initio studies on hyperfine coupling constants of phosphinyl radicals.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 23, p. N.PAG, doi. 10.1002/qua.25779
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- Publication type:
- Article
5
Analyzing torquoselectivity in a series of unusual ring‐opening reactions through bond reactivity indices and the adaptive natural density partitioning method.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 23, p. N.PAG, doi. 10.1002/qua.25778
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- Publication type:
- Article
6
Toward a theory of mechanochemistry: Simple models from the very beginnings.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 23, p. N.PAG, doi. 10.1002/qua.25775
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- Publication type:
- Article
7
Study of spin‐orbit interaction for the Makarov potential.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 23, p. N.PAG, doi. 10.1002/qua.25774
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- Publication type:
- Article
8
A DFT study of molecular structure and <sup>1</sup>H NMR, IR, and UV‐Vis spectrum of Zn(II)‐kaempferol complexes: A metal‐flavonoid complex showing enhanced anticancer activity.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 23, p. N.PAG, doi. 10.1002/qua.25773
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- Publication type:
- Article
9
Padé extrapolated effective Hamiltonians in the Fock space relativistic coupled cluster method.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 23, p. N.PAG, doi. 10.1002/qua.25772
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- Publication type:
- Article
10
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 23, p. N.PAG, doi. 10.1002/qua.25485
- Publication type:
- Article