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Lista de obras de Aurora E Clark

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

artículo científico publicado en 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

artículo científico publicado en 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.

artículo científico publicado en 2018

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

artículo científico publicado en 2022

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

artículo científico publicado en 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 ⬇️

artículo científico publicado el 7 de febrero de 2012

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

artículo científico publicado en 2019

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

artículo científico publicado en 2020

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

artículo científico publicado en 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

artículo científico publicado en 2020

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

artículo científico publicado el 25 de enero de 2012

Novel Analysis of Cation Solvation Using a Graph Theoretic Approach ⬇️

artículo científico publicado el 28 de marzo de 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

artículo científico publicado en 2015

Solid-State Recrystallization Pathways of Sodium Aluminate Hydroxy Hydrates

scientific article published on 07 April 2020

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

artículo científico publicado en 2017

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

artículo científico publicado en 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 ⬇️

artículo científico publicado el 2 de mayo de 2003

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

artículo científico publicado el 10 de agosto de 2011

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