PC GAMESS/Firefly-related discussion club
geometry optimization with a end-to-end distance constrain
jaber jahannbin Sardroodi
jsardroodi@azaruniv.edu
Dear pcgamess users,
Can anyone please help me for geometrical optimization of a curved configuration of tetracene (four benzen rings fused together) as its end-to-end distance be fixed? I need to find minimum energy of curved tetracene. Than you all
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Thu Nov 13 '08 9:08am
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