Recent activity by Milagros70T7

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What is the relationship between the electronic transport properties of a material and the accuracy of the density functional theory (DFT) calculations used to predict them?

answered 1 day ago in Computational Chemistry

1 answer 17 views

What is the relationship between the chemical structure of a drug and its pharmacodynamic properties in the human body? Use examples of drugs and their molecular structures to support your answer.

answered 1 day ago in Medicinal Chemistry

1 answer 24 views

How does the polarity of a solvent affect the photochemical reaction rate of a specific compound?

asked 3 days ago in PhotoChemistry

1 answer 21 views

What is the mechanism for a ligand substitution reaction between [Co(H2O)6]2+ and Cl- in aqueous solution?

asked 4 days ago in Coordination Chemistry

1 answer 18 views

What is the effect of temperature on the phase behavior of a liquid crystal through Monte Carlo simulations?

asked 5 days ago in Computational Chemistry

1 answer 19 views

What is the effect of temperature on the activity of the enzyme catalase in breaking down hydrogen peroxide?

answered 5 days ago in BioChemistry

1 answer 23 views

How do the coordination chemistry properties of copper in the active site of cytochrome c oxidase affect its ability to facilitate the reduction of molecular oxygen to water?

asked 6 days ago in Coordination Chemistry

1 answer 21 views

What is the balanced chemical equation for the reaction between hydrochloric acid and sodium hydroxide, and what is the concentration of H+ and OH- ions in the resulting solution?

asked Feb 17 in Chemical reactions

1 answer 22 views

How does the active site of an enzyme contribute to catalysis, and can computational models accurately predict and optimize enzyme activity through modifications to the active site?

answered Feb 17 in Computational Chemistry

1 answer 33 views

How does surface chemistry influence the stability and shelf life of emulsions used in the production of food and beverage products, and how can this knowledge be applied to optimize emulsion formulations in the industry?

asked Feb 14 in Surface Chemistry

1 answer 40 views

What are the electronic properties of polyacetylene and how does the conjugation lengths in the polymer affect those properties?

asked Feb 14 in Polymer Chemistry

1 answer 30 views

How do persistent organic pollutants affect the quality of soil in agricultural areas?

answered Feb 14 in Environmental Chemistry

1 answer 38 views

How does the mechanism of heterogeneous catalysis differ from that of homogeneous catalysis in terms of reactant adsorption and activation energy barriers?

asked Feb 13 in Surface Chemistry

1 answer 31 views

How can the mechanical properties (tensile strength, fracture toughness, etc.) of polymer-based composites for aerospace applications be improved without compromising their lightweight characteristic?

asked Feb 10 in Polymer Chemistry

1 answer 30 views

How can the key structural features of cancer-causing proteins be identified and targeted to design customized drugs for effective cancer treatment?

answered Feb 7 in Medicinal Chemistry

1 answer 44 views

How can a chemistry student overcome the difficulty in understanding complex chemical concepts, and what strategies can be used to approach such concepts more effectively?

answered Feb 4 in Chemical education

1 answer 49 views

Here is a precise problem for the student to solve:Using ab initio calculations, determine the electronic structure and energetics of a transition metal complex, specifically a ruthenium-based complex with ligands consisting of two bipyridine molecules and one 2,2'-bipyridine-4,4'-dicarboxylic acid molecule. Compare the calculated properties to experimental data and discuss the accuracy of the theoretical approach used.

asked Feb 4 in Computational Chemistry

1 answer 59 views

Certainly! Here's a question for the student to solve related to the topic:What is the mechanism of the Pinacol-Pinacolone rearrangement reaction?

answered Feb 3 in Organic Chemistry

1 answer 39 views

Calculate the standard enthalpy of formation (∆Hf) of water (H2O) given the following information: 2H2(g) + O2(g) → 2H2O(l); ∆H = -572 kJ/mol and the standard enthalpy of formation of O2 is 0 kJ/mol.

answered Feb 3 in ThermoChemistry

1 answer 49 views

Calculate the standard enthalpy change for the reaction: CH4(g) + 2O2(g) -> CO2(g) + 2H2O(g) Given the necessary bond enthalpies are: C-H = 411 kJ/molO=O = 495 kJ/molO-H = 463 kJ/molC=O = 799 kJ/mol.

asked Feb 3 in Quantum Chemistry

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