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30 Publications


2017 | Published | Journal Article | IST-REx-ID: 17945
Kamenetska M, Widawsky JR, Dell’Angela M, Frei M, Venkataraman L. 2017. Temperature dependent tunneling conductance of single molecule junctions. The Journal of Chemical Physics. 146(9), 092311.
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2017 | Published | Journal Article | IST-REx-ID: 17944
Evers F, Venkataraman L. 2017. Preface: Special topic on Frontiers in Molecular Scale Electronics. The Journal of Chemical Physics. 146(9), 092101.
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2017 | Published | Journal Article | IST-REx-ID: 9660 | OA
Cheng B, Tribello GA, Ceriotti M. 2017. The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit. The Journal of Chemical Physics. 147(10), 104707.
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2017 | Published | Journal Article | IST-REx-ID: 9661 | OA
Cheng B, Ceriotti M. 2017. Bridging the gap between atomistic and macroscopic models of homogeneous nucleation. The Journal of Chemical Physics. 146(3), 034106.
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2016 | Published | Journal Article | IST-REx-ID: 10376 | OA
Šarić A, Michaels TCT, Zaccone A, Knowles TPJ, Frenkel D. 2016. Kinetics of spontaneous filament nucleation via oligomers: Insights from theory and simulation. The Journal of Chemical Physics. 145(21), 211926.
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2016 | Published | Journal Article | IST-REx-ID: 10380 | OA
Wirnsberger P, Fijan D, Šarić A, Neumann M, Dellago C, Frenkel D. 2016. Non-equilibrium simulations of thermally induced electric fields in water. The Journal of Chemical Physics. 144(22), 224102.
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2014 | Published | Journal Article | IST-REx-ID: 14019
Vasilatou K, Michaud JM, Baykusheva DR, Grassi G, Merkt F. 2014. The cyclopropene radical cation: Rovibrational level structure at low energies from high-resolution photoelectron spectra. The Journal of Chemical Physics. 141(6), 064317.
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2014 | Published | Journal Article | IST-REx-ID: 9662 | OA
Cheng B, Ceriotti M. 2014. Direct path integral estimators for isotope fractionation ratios. The Journal of Chemical Physics. 141(24), 244112.
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2013 | Published | Journal Article | IST-REx-ID: 17991 | OA
Géranton G, Seiler C, Bagrets A, Venkataraman L, Evers F. 2013. Transport properties of individual C60-molecules. The Journal of Chemical Physics. 139(23), 234701.
[Preprint] View | DOI | Download Preprint (ext.) | arXiv
 

2013 | Published | Journal Article | IST-REx-ID: 9663 | OA
Cheng B, Ngan AHW. 2013. Thermally induced solid-solid structural transition of copper nanoparticles through direct geometrical conversion. The Journal of Chemical Physics. 138(16), 164314.
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