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Electronic transport and vibrational modes in a small molecular bridge:<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>in Pt nanocontacts
We present a state-of-the-art first-principles analysis of electronic transport in a Pt nanocontact in the presence of ${\mathrm{H}}_{2}$ which has been recently reported by Smit et al. [Nature (London) 419, 906 (2002)]. Our results indicate that at the last stages of the breaking of the Pt nanocontact two basic forms …