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Now showing items 11-20 of 38
Ab Initio Molecular Dynamics Simulations of Ti-2 on C-20 Collisions and C20Ti2 Configurations
(ACS Publications, 2013-02-28)
Atomic Charges and the Electrostatic Potential Are Ill-Defined in Degenerate Ground States
(American Chemical Society, 2013)
How to Compute the Fukui Matrix and Function for Systems with (Quasi-)Degenerate States
(American Chemical Society, 2014)
Interaction of Nitroxide Radicals with an Au8 Nanostructure: Theoretical and Calorimetric Studies
(American Chemical Society, 2019)