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1by Dabo, Ismaila“..., primarily focusing on the first-principles representation of catalytic electrodes under electrochemical...”
Published 2009
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2by Singh-Miller, Nicholas E. (Nicholas Edward)“..., 2009. === This electronic version was submitted by the student author. The certified thesis...”
Published 2010
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3by Lee, Young-Su, Ph. D. Massachusetts Institute of Technology“... and application of a novel large-scale first-principles approach to study the electronic structure and quantum...”
Published 2007
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4by Garg, Jivtesh“... thermoelectric devices as well as in thermal management of electronics. We present a first-principles approach...”
Published 2011
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5by Kulik, Heather J“...This electronic version was submitted by the student author. The certified thesis is available...”
Published 2009
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6by Bonnet, Nicéphore“... kinetic model of the oxygen reduction reaction (ORR) on platinum, in connexion with first-principles...”
Published 2013
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7by Marco Fronzi, Yoshitaka Tateyama, Nicola Marzari, Michael Nolan, Enrico TraversaSubjects: “...First principles calculations...”
Published 2016-08-01
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