Selenium MM parameters
Hi CCLers,
I am going to model some Se-methyl Methanephosphonoselenoate derivatives
and I am looking specifically for the following Molecular Mechanics
parameters:
Stretching :
Se ? C
Se ? P
Bending:
C ? Se ? P
Se ? P = O
Se ? P ? O
Se ? P ? C
Torsional:
C ? Se ? P = O
C ? Se ? P ? C
C ? Se ? P ? O
Se ? P ? O ? C
Any experimental or theoretical reference is appreciated. I will
summarize the replies for the list. Thanks very much in advance.
Stefano Alcaro
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Università di Catanzaro "Magna Graecia"
Dipartimento di Scienze Farmaco-Biologiche
"Complesso Ninì Barbieri" - 88021 Roccelletta di Borgia
Catanzaro (Italy) tel +39,0961,391131 fax +39,0961,391490
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