Recent questions in Quantum Chemistry

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Calculate the standard enthalpy change (ΔH°), standard entropy change (ΔS°) and standard Gibbs free energy change (ΔG°) of the reaction:2A(g) + 3B(g) → C(g) + 2D(g)given thatΔH°f[A(g)] = 200 kJ mol^-1Δ H°f [B(g)] = 100 kJ mol^-1Δ H°f [C(g)] = 400 kJ mol^-1Δ H°f [D(g)] = 0 kJ mol^-1ΔH°= -400 kJ mol^-1Temperature (T) = 298 KThe student needs to use their knowledge in quantum chemistry and thermodynamics to calculate the thermodynamic properties of the given reaction.

asked Feb 3 in Quantum Chemistry by MireyaFlaher (1.6k points)

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Calculate the standard enthalpy change (ΔH°) for the reaction:2H2(g) + O2(g) → 2H2O(g)given the following bond energies:H-H = 436 kJ/mol, O=O = 498 kJ/mol, H-O = 463 kJ/mol

asked Feb 3 in Quantum Chemistry by BeverlyNavar (1.8k points)

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Calculate the standard enthalpy change (∆H°) for the reaction: 2NH3(g) + 5O2(g) → 4NO(g) + 6H2O(l)Given the following bond dissociation energies (in kJ/mol):N≡N = 941, N-H = 391, O=O = 495, O-H = 464, N-O = 201, H-O-H = 464, N-H + O=O = 632, N=O = 607, and H-N≡N = 945.

asked Feb 3 in Quantum Chemistry by Phillipp57B1 (2.3k points)

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1 answer 163 views

How does changing the size of a quantum dot affect its electronic and optical properties, and how can this information be applied to the design of novel nano-scale electronic devices?

asked Feb 3 in Quantum Chemistry by Maura45O7086 (2.5k points)

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1 answer 177 views

How does changing the size and type of molecule affect the quantum transport properties in nanoscale systems?

asked Feb 3 in Quantum Chemistry by XGDKali55905 (2.7k points)

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What is the effect of changing the size and shape of quantum dots and quantum wells on their electronic and optical properties, and how can these changes be calculated using quantum chemistry methods?

asked Feb 3 in Quantum Chemistry by YRPAbe659621 (2.3k points)

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1 answer 129 views

What is the effect of changing the polarity of the solvent on the intermolecular interactions of a solute in solution? Use quantum chemical calculations to study the solvation effects of different solvents on a model solute and determine how changes in solvent polarity affect the solute's energy, geometry, and electronic structure.

asked Feb 3 in Quantum Chemistry by SterlingElki (2.2k points)

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1 answer 125 views

How does changing the number of unpaired electrons in a molecule affect its magnetic properties, and how can these changes be calculated using quantum chemistry methods?

asked Feb 3 in Quantum Chemistry by Samira94683 (2.2k points)

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1 answer 119 views

How does changing the molecular structure of a substance affect its magnetic properties, and how can this information be used in the design of novel materials with specific magnetic properties?

asked Feb 3 in Quantum Chemistry by JacquelynWil (1.7k points)

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How does changing the molecular geometry affect the electronic excited states and optical properties of a molecule?

asked Feb 3 in Quantum Chemistry by RogerDenning (2.4k points)

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How does changing the mass of the atoms in a molecule affect its vibrational frequencies and infrared spectra, and how can quantum chemistry calculations be used to predict these changes?

asked Feb 3 in Quantum Chemistry by MckinleyO01 (2.0k points)

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1 answer 203 views

How does changing the geometry and size of a molecule affect its electronic excited states and optical properties, and how can this information be accurately calculated using quantum chemistry methods?

asked Feb 3 in Quantum Chemistry by JedShackell5 (1.8k points)

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1 answer 122 views

How does changing the electronic and magnetic properties of molecular magnets affect their potential applications in fields such as data storage and spintronics?

asked Feb 3 in Quantum Chemistry by JaimeFuqua07 (2.0k points)

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1 answer 118 views

How do changes in the number of layers or types of impurities affect the electronic and optical properties of graphene and other 2D materials?

asked Jan 31 in Quantum Chemistry by HarryHodgkin (2.2k points)

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How do changes in the molecular structure of a conjugated polymer affect its electronic and optical properties, and how can we calculate these changes using quantum chemistry methods?

asked Jan 31 in Quantum Chemistry by Shelia708886 (2.1k points)

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How do changes in the electronic structure of reactants affect the rate and mechanism of electron transfer processes during redox reactions?

asked Jan 31 in Quantum Chemistry by SVNCarissa5 (1.8k points)

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1 answer 171 views

How do changes in the electronic structure of a molecule affect its magnetic properties and how can these changes be quantitatively calculated using quantum chemistry calculations? Specifically, investigate how the presence or absence of unpaired electrons in a molecule influences its magnetic susceptibility and how this can be predicted using theoretical models.

asked Jan 31 in Quantum Chemistry by GilbertoPick (1.7k points)

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1 answer 116 views

How do changes in the electronic and magnetic properties of molecular magnets affect their stability and potential for use in magnetic data storage applications?

asked Jan 31 in Quantum Chemistry by EmilyUtley95 (1.9k points)

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1 answer 126 views

How do changes in the composition of perovskite materials affect their electronic and optical properties, and what are the most effective methods for calculating and predicting these properties?

asked Jan 31 in Quantum Chemistry by LarrySummerf (1.7k points)

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1 answer 116 views

How do changes in the atomic configuration affect the electronic and optical properties of perovskite materials, and how can we use quantum calculations to accurately predict these changes?

asked Jan 31 in Quantum Chemistry by CesarSpragg2 (2.1k points)

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