Answers by MarcelaBrink

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How does the choice of exchange-correlation functional affect the accuracy of Density Functional Theory (DFT) calculations of the catalytic reaction mechanism of a specific chemical compound?

answered 3 days ago in Computational Chemistry

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How does surface modification of biomaterials affect their biocompatibility and cellular interactions?

answered 4 days ago in Surface Chemistry

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Calculate the enthalpy of adsorption for the adsorption of hydrogen gas onto a nickel surface at 25°C, given that the equilibrium pressure of hydrogen gas is 0.5 atm and the surface coverage is 0.2 monolayers. The heat of dissociation of hydrogen gas is 436 kJ/mol.

answered Jan 23 in ThermoChemistry

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