There is always going to be uncertainty with our calculation 2The following

There is always going to be uncertainty with our

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0. There is always going to be uncertainty with our calculation.
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2.The following concern atomic orbitals. a. Plot the energy levels of the atomic orbitals (1s, 2s, etc.) for hydrogen. b. Draw the basic shapes of these orbitals. Be sure to label your x-y-z axes. c. Draw the basic shape and probability of an H2 molecule in its ground state.
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d. Write out the mathematical functions representing the first three energy levels of an H atom. 𝑃 1? = ? 1? ∗ 𝑒 −𝛼 1𝑠 ∗? 𝑃 2? = ? 2? (2 − ? 2? ∗ 𝑟) 2 ∗ 𝑒 −𝛼 2𝑠 ∗? 𝑃 2𝑝 = 𝑟 2 ∗ 𝑅 2𝑝 2 𝑅 2𝑝 2 = 1 2 1 6 ∗ 𝜌 ∗ 𝑍 3 2 ∗ 𝑒 𝜌 2
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3. Build the following molecules in WebMO: H2, acetic acid, benzene, cyclohexane, bromoethane, and two other real molecules of your choice. Use Screen Capture (Alt-Print Screen in Windows) to copy images of the molecules. Paste them into a document showing your work. H2 Acetic Acid Benzene
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Cyclohexane Bromoethane Methanol
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H2O
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4. Find the PM3 geometries (bond distances, angles, etc.) and dipole moments of the two conformers of formic acid and compare with Hartree Fock results (optimize the structures in both cases). PM3 and Hartree- Fockare the “Theory “that you would choose in Webmo. You can leave “Basis Set” to the default value. Bond Distance 1 C-O Bond Angle 1 H-C-O Bond Distance 2 O-H Bond Angle 2 O-C=O Bond Distance 3 C=O Bond Angle 3 H-C=O Bond Distance 4 C-H Bond Angle 4 C-O-H Unit angstrom Unit Degrees Conformer Trans Cis Trans Cis Theory PM3 PM3 Hartree Fock Hartree Fock
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  • Summer '20
  • Atom, Chemical bond, Hartree Fock

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