Recent questions in Quantum Chemistry

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

asked Feb 7 in Quantum Chemistry by GreggTimperl (2.4k points)

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1 answer 46 views

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 JoesphWoffor (2.3k 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 DarioLoftin2 (1.7k points)

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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 Lachlan74F5 (2.0k points)

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1 answer 49 views

How can the calculation of molecular orbitals and electronic structure of molecules be used to predict and explain chemical reactions and properties of molecules? Provide an example of a chemical reaction or property that can be explained by this method.

asked Feb 6 in Quantum Chemistry by HaydenSpeigh (1.7k points)

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How can the calculation of magnetic properties, such as magnetic susceptibility, help predict the behavior of molecules in the presence of a magnetic field?

asked Feb 6 in Quantum Chemistry by NadiaN491716 (2.1k points)

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How can the calculation of magnetic properties using quantum chemistry theories help in understanding the behavior of molecules and materials in magnetic fields?

asked Feb 6 in Quantum Chemistry by Lizzie32E683 (1.8k points)

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1 answer 29 views

How can the calculation of magnetic properties of molecules and materials using quantum chemistry methods help in designing new materials with improved magnetic properties for use in electronic devices?

asked Feb 6 in Quantum Chemistry by AnitraSchard (2.1k points)

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1 answer 67 views

How can the calculation of electronic and optical properties of conjugated polymers be used to optimize their performance in organic electronics devices?

asked Feb 6 in Quantum Chemistry by JaimeFuqua07 (2.0k points)

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1 answer 41 views

How can first principles calculations be used to predict the electronic and magnetic properties of topological materials and provide insights into their potential applications in spintronics and quantum computing?

asked Feb 6 in Quantum Chemistry by AustinL82055 (1.8k points)

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How can computational methods in quantum chemistry be used to predict the catalytic activity and selectivity of a particular catalyst for a specific chemical reaction?

asked Feb 6 in Quantum Chemistry by Eusebia94K98 (2.2k points)

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1 answer 42 views

How can computational methods be used to predict the catalytic activity and selectivity of a particular catalyst for a given chemical reaction in quantum chemistry?

asked Feb 6 in Quantum Chemistry by TraceeKeith9 (1.8k points)

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1 answer 58 views

How can first principles calculations be used to predict the electronic and magnetic properties of topological materials and provide insights into their potential applications in spintronics and quantum computing?

asked Feb 5 in Quantum Chemistry by AnjaAbt20068 (2.0k points)

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1 answer 49 views

How can computational methods in quantum chemistry be used to predict the catalytic activity and selectivity of a particular catalyst for a specific chemical reaction?

asked Feb 5 in Quantum Chemistry by BrittSalas76 (1.8k points)

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How can computational methods be used to predict the catalytic activity and selectivity of a particular catalyst for a given chemical reaction in quantum chemistry?

asked Feb 5 in Quantum Chemistry by YukikoDalgle (1.6k points)

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1 answer 36 views

How can quantum mechanics be applied to develop qubits for use in quantum computing, and what are the advantages and challenges of using qubits compared to classical binary digits?

asked Feb 5 in Quantum Chemistry by AlexandraV63 (1.8k points)

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1 answer 37 views

How can quantum mechanics be applied to develop more efficient algorithms for simulating chemical reactions and predicting chemical properties, and what are the potential applications of these quantum information processing and quantum computing tools in the field of chemistry?

asked Feb 5 in Quantum Chemistry by EdytheEwk100 (2.6k points)

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1 answer 44 views

How can quantum information processing and quantum computing be utilized to solve problems in drug discovery?

asked Feb 5 in Quantum Chemistry by EfrainAlarco (2.2k points)

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1 answer 39 views

How can quantum information processing and quantum computing be utilized to enhance the accuracy and efficiency of molecular simulations and predicting chemical reactions?

asked Feb 5 in Quantum Chemistry by KraigQsr2950 (1.9k points)

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1 answer 31 views

How can quantum information processing and quantum computing be applied in the field of drug discovery?

asked Feb 5 in Quantum Chemistry by SilviaKetcha (1.6k points)

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