Angela K. Wilson
0000-0001-9500-1628
143 papers found
Refreshing results…
Cooperative Carbon Capture Capabilities in Multivariate MOFs Decorated with Amino Acid Side Chains: A Computational Study
Spectroscopic properties of Arx–Zn and Arx–Ag+(x= 1,2) van der Waals complexes
Explicitly Correlated Methods within the ccCA Methodology
Periodic Trends in 3dMetal Mediated CO2Activation
Preface
Examining the heavyp-block with a pseudopotential-based composite method: Atomic and molecular applications of rp-ccCA
Interaction Energies of CO2·Amine Complexes: Effects of Amine Substituents
Empirical Correction of Nondynamical Correlation Energy for Density Functionals
Nature of Protein–CO2 Interactions as Elucidated via Molecular Dynamics
Comparative Study of Single and Double Hybrid Density Functionals for the Prediction of 3d Transition Metal Thermochemistry
Proton affinities of deoxyribonucleosides via the ONIOM-ccCA methodology
Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets
Enthalpies of formation for organosulfur compounds: Atomization energy and hypohomodesmotic reaction schemes via ab initio composite methods
Prediction of hydrocarbon enthalpies of formation by various thermochemical schemes
Theoretical prediction of FKrOH
Comment on the paper “Extensive Theoretical Studies of a New Energetic Material: Tetrazino-Tetrazine-Tetraoxide (TTTO)” by Xinli Song, Jicun Li, Hua Hou, and Baoshan Wang
Protein-based carbon capture: progress and potential
Incorporating a completely renormalized coupled cluster approach into a composite method for thermodynamic properties and reaction paths
Carbon Dioxide Migration Pathways in Proteins
Missing publications? Search for publications with a matching author name.