bonds and connectivities in molecule?
- From: li guo hui <chenhua[ AT ]ms.dicp.ac.cn>
- Organization: Dalian Institute of Chemical Physics
- Subject: bonds and connectivities in molecule?
- Date: Wed, 1 Mar 2000 21:20:43 -0800
Dear Netters:
i would like to know what is the true definition of bond, this question can also
be given in the following:
given a file only including coordinates of atoms in molecule, there are not
connectivities between atoms in molecule, just from
this file how can i find the bonds or connectivities? using Van der walls radius
or covalance radius of atoms or some results of
population analysis from theoretical calcualtion?
thank you
Li Guo Hui
State Key Laboratory of Molecular Reaction Dynamics
Dalian Institute of Chemical Physics
Liao Ning Province, P.R.China
Mailing Address:
Room 715
Xing Hai Third Street, 59 #
Sha He Kou District
Dalian, Liaoning Province
P.R.China, 116023