QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: bidisa on March 19, 2009, 14:18
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I would like to know if there is any paper which says why theoretically calculated values of conductances of simple molecules like OPE or OPV are orders of magnitude higher than experimental( J. AM. CHEM. SOC. 2008, 130, 1080-1084) values? Have anyone calculated conductance values which compare better with experiments?
Thanking you in advance,
Bidisa