New posts in Quantum Chemistry

Chemistry - Molecular orbitals used with CCSD(T) geometries

Chemistry - Linear Combination of Atomic Orbitals

Chemistry - Relationship between the symmetry number of a molecule as used in rotational spectroscopy and point group

Chemistry - Why is the Maxwell–Boltzmann formula inapplicable at low temperatures?

Chemistry - Is the notion of orbitals different in theoretical chemistry?

Chemistry - Visualizing atoms in XYZ file with colors representing partial charges

Chemistry - What to do with (large) imaginary frequencies for constrained minimum structures?

Chemistry - Why is it only electrons that take part in chemical reactions?

Chemistry - Do electrons have some volume, area or shape?

Chemistry - What is the difference between ψ, |ψ|², radial probability, and radial distribution of electrons?