List of works - Paulette Clancy

A Quantitative Metric for the Design of Selective Supercritical CO2 Extraction of Lithium from Geothermal Brine

scientific article published on 16 July 2019

A feasibility study of unconventional planar ligand spacers in chalcogenide nanocrystals.

scientific article published on 26 February 2016

Ab Initio Studies of the Diffusion of Intrinsic Defects and Silicon Dopants in Bulk InAs

scientific article

Ambipolar Transport in Solution-Synthesized Graphene Nanoribbons.

scientific article published on 5 April 2016

Balancing Multiple Goals and Making It Work for Materials Research

scientific article published on 01 April 2020

Computational Implementation of Nudged Elastic Band, Rigid Rotation, and Corresponding Force Optimization.

scientific article

Computationally Derived Rules for Persistence of C60 Nanowires on Recumbent Pentacene Bilayers ⬇️

scientific article published on July 21, 2011

Decomplexation as a rate limitation in the thiol-Michael addition of N-acrylamides

scientific article published on 06 August 2020

Efficient search of compositional space for hybrid organic–inorganic perovskites via Bayesian optimization

scientific article published on 10 September 2018

Explicit all-atom modeling of realistically sized ligand-capped nanocrystals ⬇️

scientific article published on March 21, 2012

Finite element and analytical solutions for van der Pauw and four-point probe correction factors when multiple non-ideal measurement conditions coexist.

scientific article

Membrane alternatives in worlds without oxygen: Creation of an azotosome.

scientific article

Metal–Organic Framework-Inspired Metal-Containing Clusters for High-Resolution Patterning

Multiscale Simulation and Modeling of Multilayer Heteroepitactic Growth of C60 on Pentacene.

scientific article

Nucleation and growth of 2D covalent organic frameworks: polymerization and crystallization of COF monomers.

scientific article published on 14 March 2017

Protocol for Directing Nudged Elastic Band Calculations to the Minimum Energy Pathway: Nurturing Errant Calculations Back to Convergence

scientific article published on 07 April 2022

Simple Molecular Reactive Force Field for Metal-Organic Synthesis.

scientific article published on 8 January 2016

Simulation of graphene nanoribbon aggregation and its mediation by edge decoration.

scientific article published on 16 February 2015

Solvation of nitrogen compounds in Titan’s seas, precipitates, and atmosphere

scientific article

Solvent‐driven symmetry of self‐assembled nanocrystal superlattices—A computational study ⬇️

scientific article published on October 29, 2012

Synthesis and Solution-Phase Characterization of Sulfonated Oligothioetheramides.

scientific article published in January 2017

List of works by Paulette Clancy

A Quantitative Metric for the Design of Selective Supercritical CO2 Extraction of Lithium from Geothermal Brine

A feasibility study of unconventional planar ligand spacers in chalcogenide nanocrystals.

Ab Initio Studies of the Diffusion of Intrinsic Defects and Silicon Dopants in Bulk InAs

Ambipolar Transport in Solution-Synthesized Graphene Nanoribbons.

Balancing Multiple Goals and Making It Work for Materials Research

Computational Implementation of Nudged Elastic Band, Rigid Rotation, and Corresponding Force Optimization.

Computationally Derived Rules for Persistence of C60 Nanowires on Recumbent Pentacene Bilayers ⬇️

Decomplexation as a rate limitation in the thiol-Michael addition of N-acrylamides

Efficient search of compositional space for hybrid organic–inorganic perovskites via Bayesian optimization

Explicit all-atom modeling of realistically sized ligand-capped nanocrystals ⬇️

Finite element and analytical solutions for van der Pauw and four-point probe correction factors when multiple non-ideal measurement conditions coexist.

Membrane alternatives in worlds without oxygen: Creation of an azotosome.

Metal–Organic Framework-Inspired Metal-Containing Clusters for High-Resolution Patterning

Multiscale Simulation and Modeling of Multilayer Heteroepitactic Growth of C60 on Pentacene.

Nucleation and growth of 2D covalent organic frameworks: polymerization and crystallization of COF monomers.

Protocol for Directing Nudged Elastic Band Calculations to the Minimum Energy Pathway: Nurturing Errant Calculations Back to Convergence

Simple Molecular Reactive Force Field for Metal-Organic Synthesis.

Simulation of graphene nanoribbon aggregation and its mediation by edge decoration.

Solvation of nitrogen compounds in Titan’s seas, precipitates, and atmosphere

Solvent‐driven symmetry of self‐assembled nanocrystal superlattices—A computational study ⬇️

Synthesis and Solution-Phase Characterization of Sulfonated Oligothioetheramides.