List of works - Aurora E Clark

Ab Initio Molecular Dynamics Reveal Spectroscopic Siblings and Ion Pairing as New Challenges for Elucidating Prenucleation Aluminum Speciation

scientific article published on 24 June 2018

Al Pulsed Field Gradient, Diffusion-NMR Spectroscopy of Solvation Dynamics and Ion Pairing in Alkaline Aluminate Solutions

article

Al27 NMR chemical shift of Al(OH)4 - calculated from first principles: Assessment of error cancellation in chemically distinct reference and target systems

scientific article published on 01 April 2020

Alcohol Clustering Mechanisms in Supercritical Carbon Dioxide Using Pulsed-Field Gradient, Diffusion NMR and Network Analysis: Feedback on Stepwise Self-Association Models

scientific article published on 17 June 2019

Anticorrelated Contributions to Pre-edge Features of Aluminate Near-Edge X-ray Absorption Spectroscopy in Concentrated Electrolytes.

scientific article published on 19 April 2018

Behavior of Linear and Nonlinear Dimensionality Reduction for Collective Variable Identification of Small Molecule Solution-Phase Reactions

scientific article published on 28 February 2022

Competitive Interactions Within Cm(III) Solvation in Binary Water/Methanol Solutions

scientific article published in August 2018

Coupled-cluster, Möller Plesset (MP2), density fitted local MP2, and density functional theory examination of the energetic and structural features of hydrophobic solvation: Water and pentane ⬇️

scientific article published on February 7, 2012

Effect of Ions on the Optical Absorption Spectra of Aqueously Solvated Chromophores

scientific article published on 17 July 2019

Efficient Intermolecular Energy Exchange and Soft Ionization of Water at Nanoplatelet Interfaces

scientific article published on 12 November 2020

Hierarchical phenomena in multicomponent liquids: simulation methods, analysis, chemistry

scientific article published on 10 March 2020

Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization

scientific article published on 20 April 2020

Mechanisms of Al3+ Dimerization in Alkaline Solutions

scientific article published on 30 November 2020

Model Studies of Hydrogen Atom Addition and Abstraction Processes Involving ortho-, meta-, and para-Benzynes ⬇️

scientific article published on October 31, 2001

MoleculaRnetworks: An integrated graph theoretic and data mining tool to explore solvent organization in molecular simulation ⬇️

scientific article published on January 25, 2012

Novel Analysis of Cation Solvation Using a Graph Theoretic Approach ⬇️

scientific article published on March 28, 2012

PageRank as a collective variable to study complex chemical transformations and their energy landscapes

scientific article published on 01 April 2019

Sensitivity of Solvation Environment to Oxidation State and Position in the Early Actinide Period

scientific article published on 19 June 2015

Solid-State Recrystallization Pathways of Sodium Aluminate Hydroxy Hydrates

scientific article published on 07 April 2020

Static Electric Dipole Polarizabilities of Tri- and Tetravalent U, Np, and Pu Ions ⬇️

scientific article published on May 24, 2013

Structural and Dynamic Heterogeneity of Capillary Wave Fronts at Aqueous Interfaces.

scientific article

The "Hole" Story in Ionized Water from the Perspective of Ehrenfest Dynamics

scientific article published on 10 November 2020

The Role of Excited-State Proton Relays in the Photochemical Dynamics of Water Nanodroplets

scientific article published on 20 June 2019

p-Benzyne Derivatives That Have Exceptionally Small Singlet−Triplet Gaps and Even a Triplet Ground State ⬇️

scientific article published on May 2, 2003

“Covalent Hydration” Reactions in Model Monomeric Ru 2,2′-Bipyridine Complexes: Thermodynamic Favorability as a Function of Metal Oxidation and Overall Spin States ⬇️

scientific article published on August 10, 2011

List of works by Aurora E Clark