A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives
Stefan Dapprich, István Komáromi, K.Suzie Byun, Keiji Morokuma, Michael J FrischVolume:
461-462
Year:
1999
Language:
english
Pages:
21
DOI:
10.1016/s0166-1280(98)00475-8
File:
PDF, 306 KB
english, 1999