Chemistry, 22.08.2019 03:30 nayelimoormann
Use the am1 semiempirical quantum method in hyperchem to predict whether the molecule biphenyl is planar or nonplanar. (hint: build the molecule and then run a short molecular dynamics simulation of the molecule before geometry optimizing).
nonplanar
what is the c-c bond length of the central c-c bond in angstroms to four significant figures?
.
how many atomic orbitals are included in the basis set, knowing that am1 only uses ao's in the valence shell for each atom?
ao's
how many molecular orbitals are produced?
's
how many of those mo's are filled with electrons?
's
how many weighting coefficients need to be calculated to solve this problem?
coefficients
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Use the am1 semiempirical quantum method in hyperchem to predict whether the molecule biphenyl is pl...
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