502 citations · 1.3k across the 18 of their papers we have counts for
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Lone Pair Rotational Dynamics in Solids
Richard C. Remsing, Michael L. Klein
Traditional classifications of crystalline phases focus on nuclear degrees of freedom. Through examination of both electronic and nuclear structure, we introduce the concept of an…
Divining the Shape of Nascent Polymer Crystal Nuclei
Kyle Wm. Hall, Timothy W. Sirk, Simona Percec +2
We demonstrate that nascent polymer crystals (i.e., nuclei) are anisotropic entities, with neither spherical nor cylindrical geometry, in contrast to previous assumptions. In fact,…
Halogen Bond Structure and Dynamics from Molecular Simulations
Richard C. Remsing, Michael L. Klein
Halogen bonding has emerged as an important noncovalent interaction in a myriad of applications, including drug design, supramolecular assembly, and catalysis. Current understandin…