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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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How does the electronic structure of a metal catalyst affect the activation energy of a specific reaction, as investigated through density functional theory calculations?

asked Feb 20 in Computational Chemistry by EmelyColton2 (1.6k points)

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How does the electronic structure of a material affect its electrical conductivity, and can this be accurately predicted using density functional theory calculations?

asked Feb 20 in Computational Chemistry by DebbraCarder (2.3k points)

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How does the electronic structure of a material vary with changes in its chemical composition? Use density functional theory calculations to explain the changes in electronic properties of a series of materials with varying compositions.

asked Feb 20 in Computational Chemistry by Bev611336790 (1.8k points)

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How does the electronic structure of a host molecule affect the binding selectivity and binding strength of guest molecules in supramolecular assemblies?

asked Feb 20 in Computational Chemistry by VenusU65079 (1.8k points)

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What is the electronic structure of a chromium tricarbonyl complex and how does it compare to the electronic structure of a similar iron tricarbonyl complex, as determined by ab initio calculations?

asked Feb 20 in Computational Chemistry by ClementMackr (2.5k points)

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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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How do the electronic properties of a material change with different chemical functionalization techniques and how can those changes be accurately predicted using density functional theory calculations?

asked Feb 20 in Computational Chemistry by LucieGriego4 (2.1k points)

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1 answer 26 views

How do the electronic properties of a material change when different functional forms are used in density functional theory (DFT) calculations?

asked Feb 20 in Computational Chemistry by AlexK0785479 (1.8k points)

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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 36 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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How do the electronic configurations of metal ions impact their reactivity with non-metallic elements in inorganic compounds?

asked Feb 20 in Inorganic Chemistry by JonasOql0066 (1.5k points)

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How does the electronic configuration of transition metals impact their reactivity towards oxygen, and how can this information be used to predict the formation of oxides?

asked Feb 20 in Inorganic Chemistry by EloisaPtm353 (1.9k points)

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How does the electronic configuration of transition metals such as iron, cobalt, and nickel determine their reactivity towards ligands in coordination compounds?

asked Feb 20 in Inorganic Chemistry by RandellGunte (2.1k points)

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How does the electronic configuration of transition metal complexes affect their reactivity towards ligands in inorganic chemistry?

asked Feb 20 in Inorganic Chemistry by TroyWitcher8 (2.1k points)

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How does the electronic configuration of transition metal complexes affect their photochemical properties?

asked Feb 20 in PhotoChemistry by AmelieW70701 (1.7k points)

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How does the electronic configuration of transition metal cations influence the stability of their complexes, and how can this be used to predict the stability of inorganic compounds?

asked Feb 20 in Inorganic Chemistry by MarcyWoolery (1.8k points)

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1 answer 44 views

What is the electronic configuration of the oxygen molecule (O2) and how does this configuration result in the observed bond length of the molecule?

asked Feb 20 in Physical Chemistry by ElvaL9406057 (2.3k points)

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What is the electronic configuration of the carbon monoxide (CO) molecule? Using quantum mechanics principles, calculate the bond order and predict the bond length of the CO molecule.

asked Feb 20 in Physical Chemistry by OliveMatthae (2.1k points)

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How does the electronic configuration of inorganic compounds influence their reactivity towards other compounds? Provide examples of different inorganic compounds and their corresponding reactivity levels based on their electronic configuration.

asked Feb 20 in Inorganic Chemistry by MerryGoodsel (1.9k points)

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