Recent questions in Quantum Chemistry

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1 answer 33 views

How does the geometry of a molecule affect its electronic structure and the distribution of molecular orbitals?

asked Feb 20 in Quantum Chemistry by SelinaOmar8 (2.0k points)

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1 answer 39 views

How does the geometry of a molecule affect its electronic excited states and optical properties, and can these properties be calculated using quantum chemistry methods?

asked Feb 20 in Quantum Chemistry by Georgianna53 (2.0k points)

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What is the effect of the excitation wavelength on the fluorescence emission of a specific molecule or material?

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

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1 answer 38 views

How does the excitation of molecules and materials by light result in the absorption or emission of photons at specific wavelengths, and what are the quantum mechanics principles behind it, in the context of photochemistry and photophysics?

asked Feb 20 in Quantum Chemistry by Candida6637 (1.6k points)

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1 answer 40 views

How does the energy transfer process between molecules affect the molecular dynamics of a chemical reaction? Provide a detailed analysis using quantum chemistry principles.

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

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1 answer 35 views

How does the energy state of an electron affect the rate of electron transfer in redox reactions?

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

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1 answer 26 views

How does the energy of the transition state affect the rate of an enzyme-catalyzed reaction, and how can this information be useful for predicting reaction rates and mechanisms in biochemical processes?

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

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1 answer 29 views

How does the energy level of an electron affect its probability of being transferred in a redox reaction?

asked Feb 20 in Quantum Chemistry by ZitaHarrell8 (1.8k points)

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1 answer 16 views

How does the electronic structure of transition metal complexes affect their magnetic properties, and how can we predict these properties using quantum chemistry?

asked Feb 20 in Quantum Chemistry by Lula12H24597 (2.6k points)

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1 answer 31 views

What is the electronic structure of a water molecule and what are the molecular orbitals involved in its formation?

asked Feb 20 in Quantum Chemistry by JackH2065356 (1.1k points)

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1 answer 43 views

How does the electronic structure of a molecule affect its photochemical reactivity and the efficiency of energy transfer in photosynthesis?

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

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1 answer 22 views

How does the electronic structure of a molecule affect its conductivity at the nanoscale level? Investigate this question by studying the quantum transport properties of specific molecular systems and comparing their results to theoretical predictions.

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

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1 answer 28 views

How do the electronic properties of a molecule or material affect its behavior under light irradiation, and what are the mechanisms underlying photochemical reactions and photophysical processes in such systems, as studied in quantum chemistry?

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

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1 answer 28 views

What is the electronic ground state configuration of the molecule carbon monoxide (CO), and how does this configuration relate to the bonding and physical properties of the molecule? Use quantum chemical calculations to support your answer.

asked Feb 20 in Quantum Chemistry by MarcellaFurp (1.7k points)

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1 answer 35 views

What is the electronic excitation energy required for a molecule to absorb light in the visible region and what are its corresponding optical properties?

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

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1 answer 35 views

What is the relationship between the electronic band structure and the optical properties of graphene, and how does this compare to other 2D materials?

asked Feb 20 in Quantum Chemistry by AnnPruett84 (2.3k points)

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1 answer 28 views

How do the electronic and vibrational properties of a molecule affect its ability to transport charge in nanoscale systems? Specifically, investigate the relationship between the electronic structure and conductance of a molecular junction.

asked Feb 20 in Quantum Chemistry by MistyReagan2 (1.4k points)

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1 answer 35 views

How do the electronic and optical properties of quantum dots differ from those of quantum wells, and what strategies can be utilized to optimize their performance in potential applications such as solar cells or light-emitting diodes?

asked Feb 20 in Quantum Chemistry by FrancisBurch (1.7k points)

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1 answer 44 views

How do the electronic and optical properties of perovskite materials change with different dopants and dopant concentrations?

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

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1 answer 30 views

What is the relationship between the electronic and optical properties of perovskite materials, and how can this relationship be accurately calculated using quantum chemistry methods?

asked Feb 20 in Quantum Chemistry by DebraVxw6605 (1.8k points)

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