Recent questions in Quantum Chemistry

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What is the impact of monodentate ligands on the magnetic properties of transition metal complexes? Analyze and compare the magnetic behavior of [FeCl6]3- and [Fe(H2O)6]2+ complexes using quantum chemical calculations.

asked Feb 20 in Quantum Chemistry by EarnestineFo (2.1k points)

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What is the relationship between the magnetic properties of molecular magnets and their electronic structure, and how can this be predicted using quantum chemistry methods?

asked Feb 20 in Quantum Chemistry by JannaWales93 (2.0k points)

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What is the magnetic moment of the molecule NO (Nitric oxide) in its ground state, and how does it change upon excitation to its first excited state?

asked Feb 20 in Quantum Chemistry by LoreneQ88420 (1.8k points)

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What is the magnetic behavior of a specific molecule or material, and how does it correlate to the electronic structure of the system?

asked Feb 20 in Quantum Chemistry by WalterC19362 (2.4k points)

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How does the magnetic behavior of a molecule depend on its electronic configuration?

asked Feb 20 in Quantum Chemistry by DeanneMack98 (2.1k points)

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What is the lowest energy transition of a molecule with a HOMO-LUMO gap of 3 eV and what is the corresponding wavelength of this transition?

asked Feb 20 in Quantum Chemistry by EvieOconnor (2.3k points)

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How does the length of conjugated polymer chains affect their electronic and optical properties? Use quantum chemical calculations to compare the electronic and optical properties of a short and long-chain conjugated polymer.

asked Feb 20 in Quantum Chemistry by KaraTva8370 (2.3k points)

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How does the length of a conjugated polymer chain affect its electronic and optical properties, as calculated through quantum chemistry methods?

asked Feb 20 in Quantum Chemistry by HungObryan8 (2.4k points)

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1 answer 28 views

How does the length of a conjugated polymer chain affect its electronic and optical properties, and how can this be optimized for improved device performance in organic electronics?

asked Feb 20 in Quantum Chemistry by MarcyVallejo (2.2k points)

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What is the effect of the length of a conjugated polymer chain on its electronic and optical properties, and how can quantum chemistry calculations be used to predict and explain these effects?

asked Feb 20 in Quantum Chemistry by ChristieNobl (2.0k points)

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What is the effect of the length of a conjugated polymer chain on its electronic and optical properties?

asked Feb 20 in Quantum Chemistry by jozzaumnvuiyulg (2.5k points)

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How does the length and conjugation of a polymer chain affect its electronic and optical properties?

asked Feb 20 in Quantum Chemistry by JaninaDohert (2.2k points)

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How do the intrinsic electronic and optical properties of a conjugated polymer depend on its molecular structure and the nature of substituents attached to its backbone?

asked Feb 20 in Quantum Chemistry by Damon31M1921 (2.4k points)

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What is the nature of the intermolecular interactions between water and ethanol molecules in a solution, and how does this affect the ability of the solution to dissolve solutes?

asked Feb 20 in Quantum Chemistry by Juliana93U49 (2.3k points)

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How does the incorporation of specific metal ions into a metal-organic framework (MOF) affect the predicted electronic and magnetic properties of the MOF?

asked Feb 20 in Quantum Chemistry by YvonneRausch (2.0k points)

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1 answer 28 views

How does the incorporation of different metal ions into a metal-organic framework affect its electronic and magnetic properties, and how can quantum chemistry be used to accurately predict these properties?

asked Feb 20 in Quantum Chemistry by YukikoDalgle (1.6k points)

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1 answer 32 views

How does the implementation of quantum algorithms on quantum computers compare to classical algorithms on classical computers for solving chemical problems, such as determining molecular ground state energies and reaction mechanisms?

asked Feb 20 in Quantum Chemistry by Lizzie32E683 (1.8k points)

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1 answer 28 views

What is the impact of metal substitution on the electronic and magnetic properties of a given metal-organic framework, and how does this vary based on the coordination geometry of the metal ion and the ligand structure?

asked Feb 20 in Quantum Chemistry by NelleVxq8414 (1.5k points)

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1 answer 33 views

What is the electronic structure and bonding analysis of a water molecule using Hartree-Fock method, and how does the formation of molecular orbitals contribute to the stability of the molecule?

asked Feb 20 in Quantum Chemistry by AguedaD83620 (2.6k points)

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1 answer 33 views

What is the ground state electronic configuration and bond order of the oxygen molecule using Molecular Orbital Theory?

asked Feb 20 in Quantum Chemistry by SammieToohey (1.6k points)

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