Recent questions in Quantum Chemistry

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Calculate the vibrational frequencies and corresponding infrared spectra of carbon dioxide gas (CO2) using quantum chemical methods.

asked 1 day ago in Quantum Chemistry by DottyTong212 (610 points)

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1 answer 32 views

Calculate the standard molar entropy change for the reaction: 2 SO2(g) + O2(g) → 2 SO3(g) at 298 K, given the following standard molar entropies: ΔS°(SO2(g)) = 248.2 J K^-1 mol^-1 ΔS°(O2(g)) = 205.0 J K^-1 mol^-1 ΔS°(SO3(g)) = 256.2 J K^-1 mol^-1

asked 2 days ago in Quantum Chemistry by PattiWestwoo (460 points)

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1 answer 28 views

Calculate the standard molar entropy change (∆S°) at 298 K for the reaction: 2H2 (g) + O2 (g) → 2H2O (l) given that the standard molar enthalpy change (∆H°) for this reaction is -572 kJ/mol.

asked 2 days ago in Quantum Chemistry by ClayRuggiero (410 points)

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Calculate the standard molar enthalpy change for the following reaction using quantum chemistry and compare it with the literature value: 2H2(g) + O2(g) -> 2H2O(g) Literature Value: -572 kJ/mol

asked 2 days ago in Quantum Chemistry by MiguelBertra (370 points)

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1 answer 35 views

Calculate the standard enthalpy change of the reaction NH3(g) + 2O2(g) → NO2(g) + 3H2O(l) at 25°C, given that the standard enthalpies of formation of NH3(g), O2(g), NO2(g) and H2O(l) are -46.11 kJ/mol, 0 kJ/mol, 33.18 kJ/mol and -285.8 kJ/mol, respectively.

asked 2 days ago in Quantum Chemistry by HaleyXtk6504 (450 points)

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1 answer 25 views

Calculate the standard enthalpy change of the reaction between hydrogen gas and chlorine gas to form hydrogen chloride gas using the bond enthalpy values for H-H, Cl-Cl and H-Cl bonds.

asked 2 days ago in Quantum Chemistry by LeomaDnl617 (530 points)

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1 answer 33 views

Calculate the standard enthalpy change for the reaction: CH4(g) + 2O2(g) -> CO2(g) + 2H2O(g) Given the necessary bond enthalpies are: C-H = 411 kJ/molO=O = 495 kJ/molO-H = 463 kJ/molC=O = 799 kJ/mol.

asked 2 days ago in Quantum Chemistry by FriedaGreine (710 points)

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1 answer 30 views

Calculate the standard enthalpy change for the following reaction at 298 K:Mg(s) + 2HCl(aq) → MgCl2(aq) + H2(g)

asked 2 days ago in Quantum Chemistry by AlisonVinci (490 points)

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1 answer 18 views

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 2 days ago in Quantum Chemistry by Danielle4973 (510 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 2 days ago in Quantum Chemistry by Hortense02O4 (330 points)

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1 answer 30 views

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 2 days ago in Quantum Chemistry by HopeBlundsto (450 points)

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1 answer 34 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 2 days ago in Quantum Chemistry by CarmellaMcMi (310 points)

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1 answer 31 views

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

asked 2 days ago in Quantum Chemistry by Corazon66R68 (510 points)

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1 answer 36 views

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 2 days ago in Quantum Chemistry by LeomaDnl617 (530 points)

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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 2 days ago in Quantum Chemistry by OnitaLerner (430 points)

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1 answer 29 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 2 days ago in Quantum Chemistry by ChristinaPae (590 points)

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1 answer 28 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 2 days ago in Quantum Chemistry by JeffrySchuhm (390 points)

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1 answer 30 views

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

asked 2 days ago in Quantum Chemistry by LakeishaA172 (500 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 2 days ago in Quantum Chemistry by BrigitteTegg (610 points)

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1 answer 37 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 2 days ago in Quantum Chemistry by DanielleBouc (490 points)

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