Cover Image, Volume 118, Issue 13.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 13, p. 1, doi. 10.1002/qua.25668
- Publication type:
- Article
Works matching IS 00207608 AND DT 2018 AND VI 118 AND IP 13
Results: 12
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Performance of SCAN density functional for a set of ionic liquid ion pairs.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 13, p. 1, doi. 10.1002/qua.25582
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3
Lanthanide metals in the boron cages: Computational prediction of M@B<sub>n</sub> (M = Eu, Gd; n = 38, 40).
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 13, p. 1, doi. 10.1002/qua.25576
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- Publication type:
- Article
4
Valence bonds in elongated boron clusters.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 13, p. 1, doi. 10.1002/qua.25575
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- Publication type:
- Article
5
Accelerated pseudospectral basis in density functional calculations.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 13, p. 1, doi. 10.1002/qua.25573
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- Publication type:
- Article
6
Electron‐density delocalization in many‐electron atoms confined by penetrable walls: A Hartree–Fock study.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 13, p. 1, doi. 10.1002/qua.25571
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- Publication type:
- Article
7
Finding all‐nonmetal transition‐metal‐like superatom and its magnetic building block.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 13, p. 1, doi. 10.1002/qua.25570
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- Article
8
Effect of core substituents on the intramolecular exchange interaction in N,N′‐dioxy‐2,6‐diazaadamantane biradical: DFT studies.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 13, p. 1, doi. 10.1002/qua.25568
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- Publication type:
- Article
9
Activation and diffusion of ammonia borane hydrogen on gold tetramers.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 13, p. 1, doi. 10.1002/qua.25567
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- Publication type:
- Article
10
Fatigue and photochromism S<sub>1</sub> excited state reactivity of diarylethenes from QTAIM and the stress tensor.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 13, p. 1, doi. 10.1002/qua.25565
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- Article
11
Nickel‐substituted iron‐dependent cysteine dioxygenase: Implications for the dioxygenation activity of nickel model compounds.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 13, p. 1, doi. 10.1002/qua.25564
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- Publication type:
- Article
12
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 13, p. 1, doi. 10.1002/qua.25475
- Publication type:
- Article