@misc{miscd9312f72, title = {Stretching of BDT-gold molecular junctions: thiol or thiolate termination?}, author = {Souza, Amaury de Melo and Rungger, Ivan and Pontes, Renato Borges and Rocha, Alexandre Reily and Schwingenschloegl, Udo and Sanvito, Stefano and Silva, Antonio Jose Roque da}, year = {2020} }