Recent questions in Quantum Chemistry

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What factors determine the selectivity of a chemical reaction and how can we predict the outcome using quantum chemistry calculations?

asked Feb 24 in Quantum Chemistry by K29986283214 (2.0k points)

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1 answer 72 views

What factors determine the selectivity of a chemical reaction and how can quantum chemistry be used to predict it?

asked Feb 24 in Quantum Chemistry by SherrylIwz83 (2.0k points)

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How does the rotation of molecules affect energy transfer processes between them? An experimental study using quantum chemistry simulations.

asked Feb 24 in Quantum Chemistry by Linnea35385 (2.0k points)

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What is the relationship between the structure and electronic properties of metal-organic frameworks, and how can quantum chemistry be used to predict magnetic properties of these materials?

asked Feb 24 in Quantum Chemistry by AllanKew2295 (2.0k points)

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What is the relationship between the size of nanoparticles and their electronic and optical properties, as determined by quantum calculations?

asked Feb 24 in Quantum Chemistry by CharlesAlcal (2.0k points)

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What is the relationship between the size of a quantum dot and its electronic and optical properties, and how can this relationship be accurately calculated using quantum chemistry methods?

asked Feb 24 in Quantum Chemistry by KreogMoore5 (6.4k points)

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What is the relationship between the size and shape of a nanoscale molecular system and its quantum transport properties, and how can this understanding be applied to the design and development of more efficient molecular-scale electronic devices?

asked Feb 24 in Quantum Chemistry by LeannaDoming (1.7k points)

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What is the relationship between the ligand field strength and the electronic structure of transition metal complexes, and how does this affect their magnetic properties?

asked Feb 24 in Quantum Chemistry by Joey98948916 (1.5k points)

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What is the relationship between the length of the conjugated polymer chain and its energy gap? How does the energy gap affect the electronic and optical properties of the polymer? Provide a detailed explanation using quantum chemistry calculations.

asked Feb 24 in Quantum Chemistry by CesarForlong (1.7k points)

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1 answer 73 views

What is the relationship between the electronic structure of transition metal complexes and their magnetic properties, and how can this relationship be accurately predicted using quantum chemistry methods?

asked Feb 24 in Quantum Chemistry by MoseSiler86 (1.8k points)

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What is the relationship between the electronic structure of transition metal complexes and their magnetic properties and how can this relationship be used to predict the behavior of these complexes in chemical reactions?

asked Feb 24 in Quantum Chemistry by Maura45O7086 (2.5k points)

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1 answer 71 views

What is the relationship between the electronic structure and the magnetic properties of a topological insulator material? And how can this relationship be explored using quantum chemistry methods?

asked Feb 24 in Quantum Chemistry by ShadArchie3 (1.7k points)

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1 answer 87 views

What is the relationship between the electronic structure and magnetic properties of transition metal complexes, and how can this knowledge be used to predict and design new materials with desired magnetic properties?

asked Feb 24 in Quantum Chemistry by CaitlynTulab (1.2k points)

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1 answer 80 views

What is the relationship between the electronic structure and magnetic properties of transition metal complexes, and how can this be used to predict their behavior?

asked Feb 24 in Quantum Chemistry by DorieEverson (2.0k points)

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What is the relationship between the electronic structure and magnetic properties of metal-organic frameworks, and how can this relationship be used to predict and control their magnetic behavior?

asked Feb 24 in Quantum Chemistry by JeannetteNun (1.6k points)

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1 answer 78 views

What is the relationship between the electronic structure and magnetic properties of metal-organic frameworks, and how can this be predicted using quantum chemistry methods?

asked Feb 24 in Quantum Chemistry by DexterTejada (1.7k points)

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1 answer 63 views

What is the relationship between the electronic structure and magnetic properties of a molecular magnet, and how can we predict these properties using quantum chemistry methods?

asked Feb 24 in Quantum Chemistry by SelmaHartsoc (1.8k points)

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1 answer 87 views

What is the relationship between the electronic properties and the optical properties of conjugated polymers, and how can they be calculated through quantum chemistry methods?

asked Feb 24 in Quantum Chemistry by ElsieBidmead (2.1k points)

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1 answer 79 views

What is the relationship between the electronic excited states and the optical properties of a certain molecule, and how can this be calculated using quantum chemistry methods?

asked Feb 24 in Quantum Chemistry by MamieSanmigu (1.8k points)

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1 answer 88 views

What is the relationship between the electronic and magnetic properties of transition metal complexes, and how can they be accurately predicted using quantum chemistry methods?

asked Feb 24 in Quantum Chemistry by MarkusPaquet (1.7k points)

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