Chemistry
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user213305

First year chemical physics/quantum chemistry PhD student.

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16 Relationship between the symmetry number of a molecule as used in rotational spectroscopy and point group Mar 6 '19
9 Why is NH2 negatively charged? Feb 5 '15
8 Is the differential, dp, exact or not? Mar 9 '19
8 Number of stereoisomers and symmetry of pentane-2,3,4-triol Jul 27 '17
6 Linear Combination of Atomic Orbitals Mar 8 '19
6 What are the differences between the Hilbert space and real space representations in chemistry? Oct 13 '17
5 Computing the commutator of the Fock and density matrices in AO basis (Hartree-Fock theory) Mar 5 '20
5 Reference states for molecular orbital energies in DFT calculations Mar 8 '19
4 How do you calculate the correct charge on F after F2 dissociates? May 9 '19
4 Phases of Atomic or Molecular Orbitals Nov 10 '17
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