Recent questions in Quantum Chemistry

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How can the magnetic properties of an unknown molecule be calculated using quantum chemistry methods?

asked Feb 7 in Quantum Chemistry by MackMurry86 (2.2k points)

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1 answer 83 views

How can the magnetic properties of a molecule be calculated using quantum chemistry, and what is the significance of these calculations in understanding the behavior of materials such as paramagnetic oxides and transition metal complexes?

asked Feb 7 in Quantum Chemistry by Hanna191905 (2.0k points)

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How can the magnetic properties of a molecular magnet be predicted by using quantum chemistry calculations? Specifically, what is the relationship between the electronic structure of the molecule and its magnetic properties?

asked Feb 7 in Quantum Chemistry by ShaunBehan45 (2.8k points)

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How can the electronic band structure of perovskite materials be calculated using first-principles calculations, and how does the band structure affect the material's optical properties such as its absorption and emission spectra?

asked Feb 7 in Quantum Chemistry by TarenSalmond (1.8k points)

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How can the electronic and optical properties of silver nanoparticles be calculated using quantum chemistry methods?

asked Feb 7 in Quantum Chemistry by TomokoSorian (2.2k points)

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How can the electronic and magnetic properties of topological materials be predicted using quantum chemistry methods?

asked Feb 7 in Quantum Chemistry by AmelieW70701 (1.7k points)

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How can the electronic and magnetic properties of molecular magnets be predicted using quantum chemistry? Specifically, evaluate the impact of factors such as spin, electronic structure, and magnetic interactions on the properties of these molecules. Provide examples of molecular magnets and explain their potential applications in the field of data storage and spintronics.

asked Feb 7 in Quantum Chemistry by LinetteWaldo (1.6k points)

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How can the electronic and magnetic properties of molecular magnets be accurately predicted using quantum mechanical calculations?

asked Feb 7 in Quantum Chemistry by TawannaHaine (2.3k points)

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1 answer 100 views

How can the electronic and magnetic properties of molecular magnets be accurately predicted using quantum chemistry methods?

asked Feb 7 in Quantum Chemistry by CierraSpicer (1.4k points)

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How can the electronic and magnetic properties of metal-organic frameworks be accurately predicted using quantum chemistry calculations, and how do these properties impact the potential applications of these materials in fields such as catalysis and gas storage?

asked Feb 7 in Quantum Chemistry by TroyWitcher8 (2.1k points)

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How can the electronic and magnetic properties of metal-organic frameworks be accurately predicted using quantum chemical calculations?

asked Feb 7 in Quantum Chemistry by TeshaDeuchar (1.9k points)

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1 answer 91 views

How can the electronic and magnetic properties of metal-organic frameworks (MOFs) be predicted using quantum chemistry methods such as density functional theory (DFT)?

asked Feb 7 in Quantum Chemistry by JaneW5862561 (1.8k points)

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1 answer 97 views

How can the magnetic properties of an unknown molecule be calculated using quantum chemistry methods?

asked Feb 7 in Quantum Chemistry by PaulineUym83 (2.3k points)

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1 answer 82 views

How can the magnetic properties of a molecule be calculated using quantum chemistry, and what is the significance of these calculations in understanding the behavior of materials such as paramagnetic oxides and transition metal complexes?

asked Feb 7 in Quantum Chemistry by JeremyCanady (2.1k points)

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1 answer 95 views

How can the magnetic properties of a molecular magnet be predicted by using quantum chemistry calculations? Specifically, what is the relationship between the electronic structure of the molecule and its magnetic properties?

asked Feb 7 in Quantum Chemistry by WilburnMcCor (1.8k points)

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1 answer 108 views

How can the electronic band structure of perovskite materials be calculated using first-principles calculations, and how does the band structure affect the material's optical properties such as its absorption and emission spectra?

asked Feb 7 in Quantum Chemistry by MontePlott51 (2.0k points)

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1 answer 32 views

How can the electronic and optical properties of silver nanoparticles be calculated using quantum chemistry methods?

asked Feb 7 in Quantum Chemistry by CooperPallad (1.7k points)

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1 answer 92 views

How can the electronic and magnetic properties of topological materials be predicted using quantum chemistry methods?

asked Feb 7 in Quantum Chemistry by TandySinger1 (1.6k points)

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1 answer 99 views

How can the electronic and magnetic properties of molecular magnets be predicted using quantum chemistry? Specifically, evaluate the impact of factors such as spin, electronic structure, and magnetic interactions on the properties of these molecules. Provide examples of molecular magnets and explain their potential applications in the field of data storage and spintronics.

asked Feb 7 in Quantum Chemistry by KayleneThibo (1.4k points)

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1 answer 112 views

How can the electronic and magnetic properties of molecular magnets be accurately predicted using quantum mechanical calculations?

asked Feb 7 in Quantum Chemistry by KarolinBalse (1.5k points)

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