Recent questions in Computational Chemistry

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1 answer 53 views

Calculate the activation energy for the reaction between methane and oxygen to form carbon dioxide and water using density functional theory calculations.

asked Jan 23 in Computational Chemistry by MarceloWieck (310 points)

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1 answer 46 views

Calculate the activation energy and reaction rate constant for the formation of hydrogen gas from the reaction of molecular hydrogen with atomic hydrogen using quantum chemical calculations.

asked Jan 23 in Computational Chemistry by MartinaSwank (450 points)

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1 answer 61 views

Based on our study of Monte Carlo simulations of phase transitions in computational chemistry, calculate the probability of a solid to liquid phase transition at a given temperature for a certain substance using Monte Carlo simulation techniques.

asked Jan 23 in Computational Chemistry by JaimeThurber (310 points)

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1 answer 9 views

How can computational chemistry be used to design new metal-organic frameworks with optimal properties for carbon capture and storage?

asked Jan 22 in Computational Chemistry by JacquettaFor (470 points)

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1 answer 9 views

How can computational chemistry be used to design new metal-organic frameworks with optimal properties for carbon capture and storage?

asked Jan 22 in Computational Chemistry by ShannanPatti (570 points)

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Recent questions in Computational Chemistry

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