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ACS Nano|December 15, 2015
Nonradiative Plasmon Decay and Hot Carrier Dynamics: Effects of Phonons, Surfaces, and GeometryAna M Brown, Ravishankar Sundararaman, Prineha Narang, et al.ACS Applied Materials & Interfaces|January 19, 2018
Shear-Induced Brittle Failure along Grain Boundaries in Boron CarbideXiaokun Yang, Shawn P Coleman, Jerry C Lasalvia, et al.The Journal of Physical Chemistry. B|October 25, 2008
Charge transport through polyene self-assembled monolayers from multiscale computer simulationsChristopher George, Hidehiro Yoshida, William A Goddard, et al.Journal of the American Chemical Society|August 11, 2005
Synthesis, structure, and reactivity of O-donor Ir(III) complexes: C-H activation studies with benzeneGaurav Bhalla, Xiang Yang Liu, Jonas Oxgaard, et al.The Journal of Physical Chemistry. B|July 16, 2009
Thermal decomposition of hydrazines from reactive dynamics using the ReaxFF reactive force fieldLuzheng Zhang, Adri C T van Duin, Sergey V Zybin, et al.Organic Letters|September 29, 2009
On the impact of steric and electronic properties of ligands on gold(I)-catalyzed cycloaddition reactionsDiego Benitez, Ekaterina Tkatchouk, Ana Z Gonzalez, et al.Proceedings of the National Academy of Sciences of the United States of America|March 19, 2013
Formation of the -N(NO)N(NO)- polymer at high pressure and stabilization at ambient conditionsHai Xiao, Qi An, William A Goddard, et al.The Journal of Physical Chemistry. A|June 6, 2009
Simulating the initial stage of phenolic resin carbonization via the ReaxFF reactive force fieldDe-en Jiang, Adri C T van Duin, William A Goddard, et al.The Journal of Physical Chemistry. A|July 26, 2011
Development of interatomic ReaxFF potentials for Au-S-C-H systemsTommi T Järvi, Adri C T van Duin, Kai Nordlund, et al.The Journal of Physical Chemistry. A|April 30, 2015
Theoretical and experimental studies of the dechlorination mechanism of carbon tetrachloride on a vivianite ferrous phosphate surfaceKeonghee Jeon, Nara Lee, Sungjun Bae, et al.Pageof 76