Recent activity by ReinaldoBull

1 answer 28 views

How does the size and shape of a nanoparticle affect its behavior in a molecular dynamics simulation? Specifically, how does the radius and aspect ratio of a gold nanoparticle impact its surface area and surface energy?

asked Feb 24 in Computational Chemistry

1 answer 31 views

How does the presence of different functional groups affect the photophysical properties of organic molecules and how can this be utilized in designing novel light-emitting materials?

asked Feb 22 in Quantum Chemistry

1 answer 33 views

How does the pH of the solution affect the reaction rate of the enzymatic hydrolysis of sucrose using invertase enzyme?

asked Feb 22 in Chemical kinetics

1 answer 32 views

What is the optimum reaction conditions for the synthesis of polyethylene from ethylene monomer and how do they affect the yield and properties of the polymer?

asked Feb 22 in Chemical synthesis

1 answer 26 views

Which metal ion is present in the active site of the enzyme carbonic anhydrase and how does it assist in the catalytic conversion of carbon dioxide to bicarbonate ion?

asked Feb 20 in Coordination Chemistry

1 answer 33 views

How does the folding pattern of a protein affect its function in the human body, and how do changes in the protein's environment impact its folding ability and ultimately its functionality?

asked Feb 20 in BioChemistry

1 answer 37 views

What is the chemical principle behind the prediction of color in transition metal complexes and how can it be used to predict the color of copper sulfate and cobalt chloride solutions with different ligands?

answered Feb 18 in Inorganic Chemistry

1 answer 32 views

What is the bond order of NO+ ion and NO− ion if the bond order of NO is calculated to be 2.5?

asked Feb 18 in Chemical bonding

1 answer 34 views

What is the balanced chemical equation for the reaction between sulfuric acid (H2SO4) and sodium hydroxide (NaOH) to produce sodium sulfate (Na2SO4) and water (H2O)?

asked Feb 17 in Chemical reactions

1 answer 28 views

How does the arrangement of atoms in a crystal structure affect the physical properties of a material? Provide three specific examples of how crystallographic properties impact the behavior of materials in different chemical reactions.

asked Feb 17 in Physical Chemistry

1 answer 25 views

How does the adsorption energy of CO on metal surfaces vary with surface composition, and how can this information be utilized to optimize catalysts for CO conversion reactions using Density Functional Theory calculations?

answered Feb 17 in Computational Chemistry

1 answer 38 views

How does the absorption spectra of a molecule change with changes in its geometrical configuration? Use quantum chemical calculations to predict and explain the changes in the excited states of the molecule when its structure is altered.

asked Feb 17 in Computational Chemistry

1 answer 34 views

What is the effect of metal coordinative bonds on the adsorption properties of metal-organic frameworks used as adsorbents for gas separation applications, and how can computational studies help in predicting their optimal structures and properties?

asked Feb 13 in Computational Chemistry

1 answer 54 views

What is the oxidation state of uranium in the coordination complex [UO2(NO3)2(H2O)2] and how many oxygen atoms are involved in the coordination around uranium in this complex?

answered Feb 13 in Coordination Chemistry

1 answer 56 views

How does the rate of fatty acid oxidation change in a cell when the concentration of coenzyme A decreases?

answered Feb 13 in BioChemistry

1 answer 101 views

How does the excess nitrogen and phosphorus in agricultural runoff affect the levels of dissolved oxygen in bodies of water and what methods can be used to mitigate these impacts?

asked Feb 13 in Environmental Chemistry

1 answer 76 views

How can the stability of an emulsion be enhanced using surfactants and what factors affect the stability of the emulsion?

answered Feb 10 in Surface Chemistry

1 answer 72 views

How can the principles of quantum mechanics be applied to improve the efficiency and accuracy of quantum computing algorithms for studying the electronic structure of molecules?

answered Feb 10 in Quantum Chemistry

1 answer 39 views

How can the performance of polymer-based membranes for water treatment, specifically in terms of permeability and selectivity, be enhanced by varying the polymer composition, processing conditions, or surface modifications?

asked Feb 10 in Polymer Chemistry

1 answer 35 views

How can computational studies be used to predict the effects of mutations in active site residues on enzyme catalysis?

answered Feb 5 in Computational Chemistry

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