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Using computational methods, calculate the standard enthalpy of formation and the standard entropy of CH4(g) at 298 K. How does the calculated enthalpy and entropy values compare to the experimental values? Provide a possible explanation for any discrepancies between the two values.

asked Jan 31 in Quantum Chemistry by TillyBbd3251 (2.3k points)

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What is the chemical structure of an unknown organic compound that has been analyzed using magnetic resonance spectroscopy, and what functional groups are present in the compound?

asked Jan 31 in Physical Chemistry by NinaDimattia (1.6k points)

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What is the concentration of lead in a water sample collected from a nearby river? analyze the sample using Atomic Absorption Spectroscopy and report the result in ppm.

asked Jan 31 in Analytical Chemistry by DoraSturm903 (1.8k points)

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Identify two complex chemical concepts that you find difficult to understand, and describe a strategy that you use to help comprehend and master the concepts.

asked Jan 31 in Chemical education by MercedesLang (2.2k points)

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What are the specific environmental regulations that are currently in place in your local area to protect the environment, and how effective have they been in achieving their intended goals?

asked Jan 31 in Environmental Chemistry by EmilyForro67 (1.6k points)

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What is the carbon footprint of the transportation sector in your city and how can it be reduced to minimize its impact on the environment?

asked Jan 31 in Environmental Chemistry by Hanna191905 (2.0k points)

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What is the excitation energy and wavelength of the highest energy absorption transition for a molecule of benzene (C6H6) using time-dependent density functional theory (TDDFT) calculations?

asked Jan 31 in Computational Chemistry by Aline0805519 (1.8k points)

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What is the standard enthalpy of formation (∆H°f) of ethane (C2H6) at room temperature (298K)? Use quantum chemistry calculations to determine the ∆H°f of ethane and compare it to literature values. Does your calculation agree with the literature values?

asked Jan 31 in Quantum Chemistry by PeteWirtz263 (2.1k points)

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Calculate the standard enthalpy of formation for methane gas using quantum chemistry calculations.

asked Jan 31 in Quantum Chemistry by JoannKinne38 (1.4k points)

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What is the effect of size and shape on the electronic and optical properties of gold nanoparticles? Perform quantum chemical calculations to compare and contrast the properties of spherical and triangular shaped gold nanoparticles with diameters ranging from 3 to 15 nm.

asked Jan 31 in Quantum Chemistry by RaulGalway75 (2.1k points)

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What is the reaction mechanism and rate determining step of the formation of a C-C bond between two ethene (C2H4) molecules catalyzed by a nickel-based catalyst? Use quantum chemical calculations to determine the activation energy, transition state geometry, and reaction energetics.

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

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What is the rate constant for the reaction between hydrogen gas and chlorine gas at room temperature, using quantum chemical calculations?

asked Jan 31 in Computational Chemistry by JoannKinne38 (1.4k points)

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What is the rate constant for the hydrogen abstraction reaction between ethane and the hydroxyl radical (OH) in the gas phase at room temperature (298K)? Use quantum chemical calculations to determine the activation energy and frequency factor for this reaction.

asked Jan 31 in Computational Chemistry by FrankieJay1 (1.7k points)

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What is the calculated vibrational frequency of the carbon-oxygen double bond in the molecule ethylene oxide, and how does this frequency compare to the corresponding frequency for a single carbon-oxygen bond? Use quantum chemical calculations to determine the infrared spectra for both bonds, and explain the differences in the spectra.

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

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1 answer 67 views

What is the concentration of lead ions in a water sample collected from a contaminated site? Use atomic absorption spectroscopy to quantify the lead ions in the sample and report your results in ppm.

asked Jan 31 in Analytical Chemistry by CathrynMacMa (2.5k points)

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1 answer 31 views

What is the calculated bandgap of a silicon crystal using Density Functional Theory (DFT) calculations, with a lattice parameter of 5.43 Å? How does the calculated bandgap compare to experimental values reported in the literature?

asked Jan 31 in Computational Chemistry by MartyLeSouef (2.0k points)

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What is the unidentified compound present in a given sample, and what is its molecular weight, using mass spectrometry?

asked Jan 31 in Analytical Chemistry by RachelMcCann (2.2k points)

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What is the dipole moment of a H2O molecule? Use ab initio calculations to determine the dipole moment of the H2O molecule at the ground state.

asked Jan 31 in Computational Chemistry by CIGArmando01 (1.8k points)

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What is the optimized geometry and electronic structure of the transition metal complex [Fe(CN)6]4- using ab initio calculations?

asked Jan 31 in Computational Chemistry by BrandiBeer01 (2.4k points)

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What is the standard enthalpy change for the combustion of methane (CH4) gas to form carbon dioxide (CO2) gas and water (H2O) at 298 K? Use quantum chemistry calculations to determine the necessary thermodynamic properties of CH4, CO2, and H2O to solve the problem.

asked Jan 31 in Quantum Chemistry by XHQMikel9006 (2.0k points)

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