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Science Advances|November 25, 2015
Membrane alternatives in worlds without oxygen: Creation of an azotosomeJames Stevenson, Jonathan Lunine, Paulette ClancyJournal of Chemical Theory and Computation|January 9, 2016
Simple Molecular Reactive Force Field for Metal-Organic SynthesisJovana Andrejevic, James Stevenson, Paulette ClancySoft Matter|November 2, 2023
A multiscale approach to uncover the self-assembly of ligand-covered palladium nanocubesXiangyu Chen, Thi Vo, Paulette ClancyLangmuir : the ACS Journal of Surfaces and Colloids|July 8, 2011
Computationally derived rules for persistence of C60 nanowires on recumbent pentacene bilayersRebecca A Cantrell, Christine James, Paulette ClancyACS Nano|February 20, 2014
The role of shape on electronic structure and charge transport in faceted PbSe nanocrystalsAnanth P Kaushik, Binit Lukose, Paulette ClancyJournal of the American Chemical Society|January 19, 2006
Ab initio calculations of the reaction mechanisms for metal-nitride deposition from organo-metallic precursors onto functionalized self-assembled monolayersMohit Haran, James R Engstrom, Paulette ClancyJournal of Chemical Theory and Computation|June 17, 2017
Computational Implementation of Nudged Elastic Band, Rigid Rotation, and Corresponding Force OptimizationHenry C Herbol, James Stevenson, Paulette ClancyJournal of Chemical Theory and Computation|April 7, 2022
Protocol for Directing Nudged Elastic Band Calculations to the Minimum Energy Pathway: Nurturing Errant Calculations Back to ConvergenceAndrew W Ruttinger, Divya Sharma, Paulette ClancyJournal of Chemical Theory and Computation|November 19, 2015
A Kinetic Monte Carlo Study of Fullerene Adsorption within a Pc-PBBA Covalent Organic Framework and Implications for Electron TransportBrian T Koo, Philip G Berard, Paulette ClancyThe Journal of Chemical Physics|March 10, 2010
Accurate implementation of leaping in space: the spatial partitioned-leaping algorithmKrishna A Iyengar, Leonard A Harris, Paulette ClancyPageof 6