CCL:G: specifying solvent using IPCM
- From: Ian Hovell <HOVELL=cetem.gov.br>
- Subject: CCL:G: specifying solvent using IPCM
- Date: Mon, 7 Nov 2005 12:45:23 -0300
Dear
CCLers,
I can specify a non
standard solvent in a PCM calculation using G03W using the option "read" in the
SCRF keyword. I would have thought the the same procedure holds for IPCM. Can
someone enlighten me as to whether it is possible to define a non standard
solvent using the IPCM method and if so how.
TIA
Ian Hovell - Ph.D.
NUCLEO DE MODELAGEM
MOLECULAR-NMM
Centro de Tecnologia Mineral - CETEM
Ministerio da Cincia
e da Tecnologia- MCT
Avenida Ip, No 900 - Cidade Universitaria
Ilha do
Fundo Rio de Janeiro RJ Brasil
CEP 21941-590
tel 00 55 (xx) 3865 7344 ou
3865 - 7216
Fax 00 55 (xx) 22602837 ou 2290-4286
e-mail hovell]=[cetem.gov.br