Recent questions in Quantum Chemistry

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What is the magnetic susceptibility of a benzene molecule and how does it change upon the addition of a nickel atom to the molecule? Calculate the values using quantum chemistry calculations and explain the observed changes in magnetic properties.

asked Feb 13 in Quantum Chemistry by HenryWalden (1.6k points)

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1 answer 40 views

What is the effect of ligand substitution on the electronic and magnetic properties of transition metal complexes?

asked Feb 13 in Quantum Chemistry by EllisDonahue (2.6k points)

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How does the ligand field splitting affect the magnetic properties of a transition metal complex and what are the factors that influence it?

asked Feb 13 in Quantum Chemistry by MelbaTulloch (2.2k points)

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1 answer 50 views

How do intermolecular interactions affect the solubility of a solute in a solvent?

asked Feb 13 in Quantum Chemistry by KelleS495456 (1.9k points)

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1 answer 61 views

How do intermolecular interactions affect the solubility of a compound in a particular solvent?

asked Feb 13 in Quantum Chemistry by DebraKeys12 (1.7k points)

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1 answer 59 views

How do intermolecular interactions and solvation effects affect the thermodynamics and kinetics of chemical reactions in solutions?

asked Feb 13 in Quantum Chemistry by BarbraBelang (2.1k points)

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1 answer 44 views

How do intermolecular interactions and solvation effects affect the physical properties (such as boiling point, surface tension, viscosity, and refractive index) of a solvent and solute in a solution?

asked Feb 13 in Quantum Chemistry by AdaBethel250 (2.0k points)

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1 answer 54 views

How do intermolecular interactions and solvation effects affect the stability of drug molecules in aqueous solutions?

asked Feb 13 in Quantum Chemistry by MargueriteWa (1.8k points)

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1 answer 54 views

How do intermolecular interactions and solvation effects influence the solubility of ionic compounds in polar solvents?

asked Feb 13 in Quantum Chemistry by ErikaStephen (2.4k points)

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1 answer 53 views

How do intermolecular interactions and solvation effects affect the behavior of a certain organic compound in a particular solvent and at a specific temperature?

asked Feb 13 in Quantum Chemistry by ChasityBelli (2.2k points)

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1 answer 92 views

How do intermolecular forces affect the solubility of polar and nonpolar molecules in different solvents?

asked Feb 13 in Quantum Chemistry by LuzGerste41 (1.9k points)

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1 answer 58 views

What is the magnetic moment of carbon monoxide (CO) molecule in its ground state?

asked Feb 13 in Quantum Chemistry by TiaMuirden46 (2.3k points)

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1 answer 94 views

In a solution of water and ethanol, which molecule exhibits a stronger intermolecular interaction and why? Use quantum chemistry calculations to determine the strength of the intermolecular forces and the extent of solvation effects in the solution.

asked Feb 13 in Quantum Chemistry by CletaF793120 (2.8k points)

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1 answer 94 views

What is the thermodynamic reaction pathway and the corresponding reaction mechanism for the electron transfer process taking place in a redox reaction between potassium permanganate and oxalic acid in acidic medium?

asked Feb 13 in Quantum Chemistry by FionaGreenbe (1.8k points)

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1 answer 68 views

How does the energy transfer process occur between molecules in a gas-phase reaction and what factors affect the rate of this transfer as studied by molecular dynamics simulations in quantum chemistry?

asked Feb 13 in Quantum Chemistry by DillonLeight (1.6k points)

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1 answer 61 views

What is the mechanism of energy transfer in a chemical reaction and how can it be described using quantum mechanics?

asked Feb 13 in Quantum Chemistry by NickolasShum (1.9k points)

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1 answer 54 views

What is the bond angle between the carbon-oxygen bonds in a carbon dioxide molecule?

asked Feb 13 in Quantum Chemistry by VanceW838771 (1.9k points)

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1 answer 46 views

What is the bandgap of graphene and how does it affect the optical properties of the material? Provide a detailed analysis and comparison with other 2D materials that have different bandgaps.

asked Feb 13 in Quantum Chemistry by LatashaWillc (2.7k points)

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1 answer 97 views

What are the electronic and optical properties of graphene and other 2D materials when doped with nitrogen or boron atoms, and how do these properties differ from their undoped counterparts?

asked Feb 13 in Quantum Chemistry by LannyNewell (1.8k points)

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1 answer 52 views

What are the electronic and optical properties of Graphene and other 2D materials, and how do these properties compare with those of traditional 3D materials? Provide specific examples and insights gained from quantum chemical calculations.

asked Feb 13 in Quantum Chemistry by Patsy0696347 (1.8k points)

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