Molecular engineering of triphenylamine‐based metal‐free organic dyes for dye‐sensitized solar cells.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26620
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2021 AND VI 121 AND IP 10
Results: 17
1
2
A density matrix renormalization group investigation on the electronic states of MnGe<sub>n</sub><sup>−/0/+</sup> (n = 1–3) clusters.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26619
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- Article
3
Quantum‐classical path integral evaluation of reaction rates with a near‐equilibrium flux formulation.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26618
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- Article
4
Distance based and bond additive topological indices of certain repurposed antiviral drug compounds tested for treating COVID‐19.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26617
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- Article
5
Ro‐vibrational energy and thermodynamic properties of molecules subjected to Deng–Fan potential through an improved approximation.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26616
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- Publication type:
- Article
6
Ab initio dynamics of gas‐phase and aqueous‐phase hydrolysis of adenosine triphosphate.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26615
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- Article
7
Conversions of localized excess electrons and spin states under external electric field: Inter‐cage electron‐transfer isomer (C<sub>20</sub>F<sub>20</sub>)<sub>3</sub>&K<sub>2</sub>.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26614
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- Article
8
Quantum‐chemical study of octafluoro‐spirobi[triphosphazene].
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26613
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- Publication type:
- Article
9
Splitting dioxygen over distant binuclear transition metal cationic sites in zeolites. Effect of the transition metal cation.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26611
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- Article
10
The Fe<sup>IV</sup>O• oxyl unit as a key intermediate in water oxidation on the Fe<sup>III</sup>hydroxide: DFT predictions.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26610
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- Publication type:
- Article
11
Computational mechanistic studies of the carbon–carbon double bond difunctionalization via epoxidation and subsequent aminolysis in vegetable oils.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26609
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- Article
12
Graphitic SiC: A potential anode material for Na‐ion battery with extremely high storage capacity.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26608
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- Publication type:
- Article
13
Electronic and adsorption properties of the zigzag‐edged triangle graphene nanosheets.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26607
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- Article
14
First principles study of electronic, elastic, optical and magnetic properties of Rh<sub>2</sub>MnX (X = Ti, Hf, Sc, Zr, Zn) Heusler alloys.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26606
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- Article
15
Adsorption of organic molecules on graphene and fluorographene: An unresolved discrepancy between experiment and theory.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26605
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- Publication type:
- Article
16
Cover Image, Volume 121, Issue 10.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26298
- Publication type:
- Article
17
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 10, p. 1, doi. 10.1002/qua.26297
- Publication type:
- Article