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What is the most favorable reaction pathway for the Fischer-Tropsch synthesis of methane on a Cu surface using Density Functional Theory calculations of catalytic reactions?

asked Jan 31 in Computational Chemistry by GracieGainfo (2.2k points)

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1 answer 76 views

What is the most stable conformation of 1,2-dichloroethane and how does it affect the molecule's dipole moment? Use computational chemistry and molecular modeling to calculate the energy of different conformations and analyze their dipole moments.

asked Jan 31 in Physical Chemistry by JanisMontane (1.8k points)

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What is the electronic structure and composition of the first excited state of the ethylene molecule (C2H4) using time-dependent density functional theory?

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

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1 answer 112 views

What is the dipole moment of water molecule using ab initio calculations?

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

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1 answer 66 views

What is the Dipole Moment of Nitrogen Molecule Using Ab Initio Calculations?

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

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1 answer 90 views

What is the dipole moment (in Debye) of water molecule as predicted by ab initio calculations using the Hartree-Fock method with a 6-31++G(d,p) basis set?

asked Jan 31 in Computational Chemistry by AOVFlorrie80 (1.7k points)

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What is the electronic structure and properties of the [Fe(CO)5] complex using ab initio calculations?

asked Jan 31 in Computational Chemistry by TeshaDeuchar (1.9k points)

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1 answer 88 views

What is the potential of a natural plant compound to act as an effective cancer treatment? Provide experimental evidence to support your findings, including the mechanism of action and toxicity profile of the compound.

asked Jan 31 in Medicinal Chemistry by ElissaSegura (1.6k points)

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1 answer 87 views

What is the molecular structure of a sample under investigation, based on the magnetic resonance spectra recorded at different temperatures and under different magnetic fields?

asked Jan 31 in Physical Chemistry by BrittSalas76 (1.8k points)

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1 answer 87 views

How does the size of a gold nanoparticle affect its stability and interaction with water molecules? Perform a molecular dynamics simulation using appropriate software to investigate the behavior of gold nanoparticles of varying sizes in water. Analyze your results to determine the correlation between nanoparticle size and stability, and provide an explanation for any observed trends.

asked Jan 31 in Computational Chemistry by AlineBacon1 (1.5k points)

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1 answer 104 views

What is the energy difference between the ground state and the first excited state of a molecule of benzene, calculated using time-dependent density functional theory (TD-DFT)?

asked Jan 31 in Computational Chemistry by CecileODrisc (1.9k points)

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1 answer 79 views

What is the impact of the use of wind turbines on local bird populations in a specific region?

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

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1 answer 87 views

Which functional groups are present in compound X as determined by its infrared spectrum, and what structural features of the compound are suggested by the observed IR peaks?

asked Jan 31 in Analytical Chemistry by Candida6637 (1.6k points)

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What specific functional group is present in compound X as determined by UV-Vis spectroscopy analysis?

asked Jan 31 in Analytical Chemistry by Osvaldo14767 (1.8k points)

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What is the most efficient and cost-effective process for the production of a specific food additive (specified by the teacher or assigned by the student) using chemical engineering principles and equipment? And how can the chemical engineers optimize the process to produce the food additive in the required quality and quantity?

asked Jan 31 in Chemical engineering by CorineSasaki (1.8k points)

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1 answer 79 views

What is the carbon footprint of the transportation industry in your local area, and how can we reduce it?

asked Jan 31 in Environmental Chemistry by KreogMoore5 (6.4k points)

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1 answer 80 views

What is the concentration of lead in a water sample collected from a nearby river using atomic absorption spectroscopy?

asked Jan 31 in Analytical Chemistry by MaricelaBevi (1.9k points)

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1 answer 99 views

What is the concentration of heavy metals and organic pollutants in landfill leachate samples and how do they affect the quality of the groundwater in the surrounding area?

asked Jan 31 in Environmental Chemistry by JanieCorso7 (1.9k points)

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What is the specific concentration of the pesticide residue chlorpyrifos in a particular brand of apples and how does it compare to the Maximum Residue Limit (MRL) established by the regulatory authority? Additionally, what is the potential human health impact of consuming the apples with the measured pesticide residue concentration?

asked Jan 31 in Environmental Chemistry by TereseMandal (1.7k points)

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1 answer 95 views

What is the rate expression for the following gas phase reaction?2NO2(g) → 2NO(g) + O2(g)The student would need to determine the rate expression using experimental data and the rate law equation.

asked Jan 31 in Physical Chemistry by AngelikaYvu6 (1.9k points)

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