Cover Image, Volume 119, Issue 24.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26095
- Publication type:
- Article
Works matching IS 00207608 AND DT 2019 AND VI 119 AND IP 24
Results: 22
1
2
Small helium clusters formation.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26045
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- Article
3
On the normalized Laplacian of Möbius phenylene chain and its applications.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26044
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- Publication type:
- Article
4
Mostar indices of carbon nanostructures and circumscribed donut benzenoid systems.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26043
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- Article
5
Confinement of hydrogen atom with Dirac equation.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26034
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- Publication type:
- Article
6
Critical stability and quantum phase transition of screened two‐electron system.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26042
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- Publication type:
- Article
7
The nature of the chemical bond in UO<sub>2</sub>.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26040
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- Article
8
A density functional theory study on mechanisms of [4 + 2] annulation of enal with α‐methylene cycloalkanone catalyzed by N‐heterocyclic carbene.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26039
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- Publication type:
- Article
9
Stabilizing heteroatom‐centered 16‐vertex group 11 tetrahedral architectures: Bonding and structural considerations toward versatile endohedral species.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26038
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- Article
10
Electronic effect of β‐diketonato ligands on the redox potential of fac and mer tris(β‐diketonato) iron(III) complexes: A density functional theory study and molecular electrostatic potential analysis.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26036
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- Article
11
First‐principles calculation of temperature‐dependent electronic transitions mechanism in V or Nb substituted BiFeO<sub>3</sub>.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26041
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- Publication type:
- Article
12
Ferrocenyl hetaryl thioketones: A computational study of their conformational stability.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26033
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- Publication type:
- Article
13
Phosphorus mononitride: A difficult case for theory.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26032
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- Article
14
Influence of photodegradation and surface modification on the graphene‐diclofenac physisorption process.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26030
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- Publication type:
- Article
15
Planarity of ethylene/linear polyene analogues focused on π‐electron holding ability of the components.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26029
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- Publication type:
- Article
16
Thermochemical investigation of Zr doping in LiNi<sub>8/12</sub>Co<sub>2/12</sub>Mn<sub>2/12</sub>O<sub>2</sub> based on phase equilibria simulation.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26028
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- Article
17
Selective control of photoassociation of alkaline earth dimers: A theoretical study.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26027
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- Publication type:
- Article
18
Optoelectronic and charge transport properties of the complex of carbon nanotube with perylene bisimide.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26026
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- Publication type:
- Article
19
Revisiting mechanistic studies on dinitrogen reduction to ammonia by an iron dinitrogen complex as nitrogenase mimic.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26025
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- Article
20
Correlation of electron density and bond length to band gap for binary oxides and halides.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26022
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- Publication type:
- Article
21
Fast quantum crystallography.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.25986
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- Publication type:
- Article
22
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.25753
- Publication type:
- Article