A theoretical study on cyclacenes: Analytical tight‐binding approach.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 12, p. 1, doi. 10.1002/qua.25569
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2018 AND VI 118 AND IP 12
Results: 12
1
2
Cover Image, Volume 118, Issue 12.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 12, p. 1, doi. 10.1002/qua.25652
- Publication type:
- Article
3
Application of the unitary group approach to evaluate spin density for configuration interaction calculations in a basis of <italic>S</italic><sup>2</sup> eigenfunctions.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 12, p. 1, doi. 10.1002/qua.25559
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- Publication type:
- Article
4
Ionization probability of the hydrogen atom suddenly released from confinement.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 12, p. 1, doi. 10.1002/qua.25563
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- Publication type:
- Article
5
On the validity of complete basis set extrapolation formula optimized for the equilibrium distance applied to the potential energy surface for the correlation energy of the helium dimer.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 12, p. 1, doi. 10.1002/qua.25552
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- Publication type:
- Article
6
Quantum chemical prediction for complex organic molecules.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 12, p. 1, doi. 10.1002/qua.25561
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- Publication type:
- Article
7
Hydrogen bonding cooperation in glycine‐(water)<sub><italic>n</italic></sub> clusters studied by density functional theory calculations.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 12, p. 1, doi. 10.1002/qua.25556
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- Publication type:
- Article
8
N‐doped cycloparaphenylenes: Tuning electronic properties for applications in thermally activated delayed fluorescence.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 12, p. 1, doi. 10.1002/qua.25562
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- Publication type:
- Article
9
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 12, p. 1, doi. 10.1002/qua.25474
- Publication type:
- Article
10
A novel mechanism for the isomerization of N<sub>2</sub>O<sub>4</sub> and its implication for the reaction with H<sub>2</sub>O and acid rain formation.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 12, p. 1, doi. 10.1002/qua.25560
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- Publication type:
- Article
11
Kullback–Leibler and relative Fisher information as descriptors of locality.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 12, p. 1, doi. 10.1002/qua.25557
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- Publication type:
- Article
12
Equation of state of hexagonal hydroxylapatite (P6<sub>3</sub>) as obtained from density functional theory simulations.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 12, p. 1, doi. 10.1002/qua.25553
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- Publication type:
- Article