the ab initio methods of molecular electronic structure theory were capable of providing reliable predictions of quantities of chemical interest
eadyidihhas quoted6 years ago
hamiltonian matrix elements
eadyidihhas quoted8 years ago
systems as large as XeF6,
eadyidihhas quoted8 years ago
one in which theory and experiment worked closely together to unravel the spectroscopy of triplet acetylene in a manner which would not have been possible by either party working in isolation.