Recent questions in Quantum Chemistry

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1 answer 70 views

How do the electronic and optical properties of graphene differ from those of other 2D materials such as MoS2, and what factors contribute to these differences?

asked Feb 13 in Quantum Chemistry by ElkeMary0923 (1.7k points)

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1 answer 96 views

What is the molecular orbital diagram of ethene (C2H4), and how does the electronic structure explain the bonding in the molecule?

asked Feb 13 in Quantum Chemistry by PeteWirtz263 (2.1k points)

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1 answer 86 views

How does entanglement and coherence affect the photochemistry of organic molecules on the nanoscale?

asked Feb 13 in Quantum Chemistry by BarryEisenbe (2.3k points)

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1 answer 72 views

How do energy transfer processes in molecular dynamics affect the stability and reactivity of a compound under different reaction conditions?

asked Feb 13 in Quantum Chemistry by AleciaAlleyn (1.5k points)

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1 answer 82 views

How does energy transfer occur between molecules in a chemical reaction? Use quantum chemistry principles to analyze and predict the molecular dynamics involved in specific chemical reactions.

asked Feb 13 in Quantum Chemistry by AhmadEho9450 (1.6k points)

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How does energy transfer occur between molecules in a chemical reaction, and what factors affect the rate and efficiency of this process?

asked Feb 13 in Quantum Chemistry by YOKIva496594 (2.6k points)

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1 answer 69 views

How does the electron transport behave in nanoscale systems with different molecule configurations?

asked Feb 13 in Quantum Chemistry by Hugo83583981 (1.5k points)

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1 answer 73 views

What is the effect of doping nitrogen onto the electronic and optical properties of graphene and other 2D materials and how can it be accurately calculated using quantum chemistry methods?

asked Feb 12 in Quantum Chemistry by QNZGertie668 (2.1k points)

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1 answer 49 views

What is the effect of different types of doping on the electronic and optical properties of perovskite materials, specifically those used in solar cells, and how do these changes impact the efficiency of the cells?

asked Feb 12 in Quantum Chemistry by FilomenaWago (1.8k points)

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1 answer 95 views

What is the impact of doping concentration on the electronic and optical properties of graphene and other 2D materials, and how does it affect their potential applications in electronics and optoelectronics?

asked Feb 12 in Quantum Chemistry by OctavioCarva (2.0k points)

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1 answer 64 views

How do different ligands affect the electronic and magnetic properties of transition metal complexes?

asked Feb 12 in Quantum Chemistry by HarleyOreill (1.9k points)

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1 answer 68 views

What is the excited electronic state and the associated wavelength of light for the molecular system CH2O?

asked Feb 12 in Quantum Chemistry by AhmadEho9450 (1.6k points)

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1 answer 37 views

How can the study of quantum transport in molecular and nanoscale systems be used to design more efficient electronic devices?

asked Feb 11 in Quantum Chemistry by IsabellFrome (2.1k points)

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1 answer 66 views

How can the size and shape of a quantum dot affect its electronic and optical properties?

asked Feb 10 in Quantum Chemistry by Jerry12T3434 (1.7k points)

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1 answer 93 views

How can the quantum transport properties of molecular and nanoscale systems be analyzed using computational models and simulations based on principles of quantum mechanics?

asked Feb 10 in Quantum Chemistry by BrianneWoodw (2.2k points)

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1 answer 59 views

How can the quantum theory be used to predict the electronic and magnetic properties of transition metal complexes with different ligands?

asked Feb 10 in Quantum Chemistry by IolaHolly818 (2.0k points)

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1 answer 72 views

How can the principles of quantum mechanics be utilized to predict the catalytic activity and selectivity of a given chemical reaction?

asked Feb 10 in Quantum Chemistry by GlenCaringto (2.1k points)

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1 answer 91 views

How can the principles of quantum mechanics be used in the development of algorithms and hardware for quantum computing, and what potential advantages does this technology offer over classical computing for solving chemical problems?

asked Feb 10 in Quantum Chemistry by KarolinBroth (1.5k points)

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1 answer 16 views

How can the principles of quantum mechanics be applied to improve the efficiency of quantum computing algorithms for simulating chemical reactions and properties?

asked Feb 10 in Quantum Chemistry by HeidiElmslie (1.8k points)

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1 answer 75 views

How can the principles of quantum mechanics be applied to improve the efficiency and accuracy of quantum computing algorithms for studying the electronic structure of molecules?

asked Feb 10 in Quantum Chemistry by LeifBarrios7 (2.0k points)

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