Recent questions in Chemistry

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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 Foster60490 (470 points)

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1 answer 49 views

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 LavonneBray (720 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 LupeBeane933 (630 points)

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1 answer 40 views

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

asked Jan 31 in Quantum Chemistry by Twyla390140 (560 points)

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1 answer 50 views

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 DesireeLocka (470 points)

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1 answer 56 views

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 CarmaDurden (430 points)

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1 answer 61 views

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 GeriFarquhar (350 points)

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1 answer 55 views

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 Dacia46U4404 (470 points)

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1 answer 43 views

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 MarilouArnde (440 points)

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1 answer 57 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 NinaPichardo (330 points)

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1 answer 6 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 PamalaDeNeev (490 points)

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1 answer 58 views

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 DeenaGay9005 (530 points)

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1 answer 66 views

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 InesHer92609 (750 points)

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1 answer 52 views

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 HaleyXtk6504 (450 points)

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1 answer 62 views

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 FinnLod12299 (470 points)

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1 answer 61 views

Calculate the standard enthalpy of formation (ΔHf°) for hydrogen peroxide using quantum chemistry calculations.

asked Jan 31 in Quantum Chemistry by CassieLeonsk (470 points)

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1 answer 44 views

Calculate the standard enthalpy of formation (\Delta H_{f}^{\circ}) for Carbon dioxide (CO_2) using quantum chemical calculations.

asked Jan 31 in Quantum Chemistry by GilbertKroll (690 points)

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1 answer 69 views

What is the standard enthalpy change (∆H°) for the reaction: 2H2O(l) + 2O2(g) → 4H2O(l) at 25°C? Calculate the value using quantum chemical methods and compare it to the experimental value.

asked Jan 31 in Quantum Chemistry by RafaelaEngel (610 points)

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1 answer 62 views

What is the structure of Compound X? Use nuclear magnetic resonance spectroscopy (NMR) to determine the functional groups present and their respective positions in the molecule.

asked Jan 31 in Analytical Chemistry by Pearline4366 (310 points)

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1 answer 53 views

What is the electronic band structure of a crystal with a face-centered cubic (FCC) lattice of aluminum atoms, as calculated by density functional theory?

asked Jan 31 in Computational Chemistry by ClaudiaChamb (410 points)

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