David C Cantu

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 25

Top Topics

Early Breast Cancer

Municipal Solid Waste

Molecular Dynamics

Top Venues

Inorganic chemistry

Journal of chemical information and modeling

Physical chemistry chemical physics : PCCP

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Richard C Shiery, John L Fulton, Mahalingam Balasubramanian, Manh-Thuong Nguyen, Jun-Bo Lu, Jun Li, Roger Rousseau, Vassiliki-Alexandra Glezakou, David C Cantu
Correction to "Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy". Inorganic chemistry (2024)
Thomas J Summers, Jesus Diaz Sanchez, David C Cantu
Effect of ion to ligand ratio on the aqueous to organic relative solubility of a lanthanide-ligand complex. Physical chemistry chemical physics : PCCP (2024)
Thomas J Summers, Jesus Diaz Sanchez, David C Cantu
Effect of ion to ligand ratio on the aqueous to organic relative solubility of a lanthanide-ligand complex. Physical chemistry chemical physics : PCCP 26 (32) (2024)
Richard C Shiery, John L Fulton, Mahalingam Balasubramanian, Manh-Thuong Nguyen, Jun-Bo Lu, Jun Li, Roger Rousseau, Vassiliki-Alexandra Glezakou, David C Cantu
Correction to "Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy". Inorganic chemistry 63 (27) (2024)
Thomas J Summers, Josiane A Sobrinho, Ana de Bettencourt-Dias, Shelly D Kelly, John L Fulton, David C Cantu
Solution Structures of Europium Terpyridyl Complexes with Nitrate and Triflate Counterions in Acetonitrile. Inorganic chemistry (2023)
Benjamin T Caswell, Thomas J Summers, Gerra L Licup, David C Cantu
Mutation Space of Spatially Conserved Amino Acid Sites in Proteins. ACS omega 8 (27) (2023)
Stuart J McElhany, Thomas J Summers, Richard C Shiery, David C Cantu
Analysis of the First Ion Coordination Sphere: A Toolkit to Analyze the Coordination Sphere of Ions. Journal of chemical information and modeling (2023)
Caio C de Carvalho, Ian P Murray, Hung Nguyen, Tin Nguyen, David C Cantu
Acyltransferase families that act on thioesters: Sequences, structures, and mechanisms. Proteins (2023)
Stuart J McElhany, Thomas J Summers, Richard C Shiery, David C Cantu
Analysis of the First Ion Coordination Sphere: A Toolkit to Analyze the Coordination Sphere of Ions. Journal of chemical information and modeling (2023)
Stuart J McElhany, Thomas J Summers, Richard C Shiery, David C Cantu
Analysis of the First Ion Coordination Sphere: A Toolkit to Analyze the Coordination Sphere of Ions. Journal of chemical information and modeling (2023)
Stuart J McElhany, Thomas J Summers, Richard C Shiery, David C Cantu
Analysis of the First Ion Coordination Sphere: A Toolkit to Analyze the Coordination Sphere of Ions. Journal of chemical information and modeling 63 (9) (2023)
Stuart J McElhany, Thomas J Summers, Richard C Shiery, David C Cantu
Analysis of the First Ion Coordination Sphere: A Toolkit to Analyze the Coordination Sphere of Ions. Journal of chemical information and modeling 63 (9) (2023)
Loukas Kollias, Difan Zhang, Sarah I Allec, Manh-Thuong Nguyen, Mal-Soon Lee, David C Cantu, Roger Rousseau, Vassiliki-Alexandra Glezakou
Advanced Theory and Simulation to Guide the Development of CO 2 Capture Solvents. ACS omega 7 (15) (2022)
Darren M Driscoll, Richard C Shiery, Nicolas D'Annunzio, Daria Boglaienko, Mahalingam Balasubramanian, Tatiana G Levitskaia, Carolyn I Pearce, Niranjan Govind, David C Cantu, John L Fulton
Water Defect Stabilizes the Bi 3+ Lone-Pair Electronic State Leading to an Unusual Aqueous Hydration Structure. Inorganic chemistry 61 (38) (2022)
Ravi D O'Brien, Thomas J Summers, Danil S Kaliakin, David C Cantu
The solution structures and relative stability constants of lanthanide-EDTA complexes predicted from computation. Physical chemistry chemical physics : PCCP 24 (17) (2022)
Benjamin T Caswell, Caio C de Carvalho, Hung Nguyen, Monikrishna Roy, Tin Nguyen, David C Cantu
Thioesterase enzyme families: Functions, structures, and mechanisms. Protein science : a publication of the Protein Society 31 (3) (2022)
Danil S Kaliakin, Josiane A Sobrinho, Jorge H S K Monteiro, Ana de Bettencourt-Dias, David C Cantu
Solution structure of a europium-nicotianamine complex supports that phytosiderophores bind lanthanides. Physical chemistry chemical physics : PCCP 23 (7) (2021)
Jun-Bo Lu, David C Cantu, Cong-Qiao Xu, Manh-Thuong Nguyen, Han-Shi Hu, Vassiliki-Alexandra Glezakou, Roger Rousseau, Jun Li
Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments. Journal of chemical theory and computation 17 (6) (2021)
Richard C Shiery, John L Fulton, Mahalingam Balasubramanian, Manh-Thuong Nguyen, Jun-Bo Lu, Jun Li, Roger Rousseau, Vassiliki-Alexandra Glezakou, David C Cantu
Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy. Inorganic chemistry 60 (5) (2021)
Darren M Driscoll, Richard C Shiery, Mahalingam Balasubramanian, John L Fulton, David C Cantu
Ionic Contraction across the Lanthanide Series Decreases the Temperature-Induced Disorder of the Water Coordination Sphere. Inorganic chemistry 61 (1) (2021)
Richard C Shiery, Kyle A Cooper, David C Cantu
Computational Prediction of All Lanthanide Aqua Ion Acidity Constants. Inorganic chemistry 60 (14) (2021)
David C Cantu, Deepika Malhotra, Manh-Thuong Nguyen, Phillip K Koech, Difan Zhang, Vassiliki-Alexandra Glezakou, Roger Rousseau, Jordan Page, Richard Zheng, Robert J Perry, David J Heldebrant
Molecular-Level Overhaul of γ-Aminopropyl Aminosilicone/Triethylene Glycol Post-Combustion CO2 -Capture Solvents. ChemSusChem 13 (13) (2020)
Jun-Bo Lu, David C Cantu, Manh-Thuong Nguyen, Jun Li, Vassiliki-Alexandra Glezakou, Roger Rousseau
Correction to Norm-Conserving Pseudopotentials and Basis Sets To Explore Lanthanide Chemistry in Complex Environments. Journal of chemical theory and computation 16 (7) (2020)
Loukas Kollias, David C Cantu, Marcus A Tubbs, Roger Rousseau, Vassiliki-Alexandra Glezakou, Matteo Salvalaglio
Molecular Level Understanding of the Free Energy Landscape in Early Stages of Metal-Organic Framework Nucleation. Journal of the American Chemical Society 141 (14) (2019)
Jun-Bo Lu, David C Cantu, Manh-Thuong Nguyen, Jun Li, Vassiliki-Alexandra Glezakou, Roger Rousseau
Norm-Conserving Pseudopotentials and Basis Sets To Explore Lanthanide Chemistry in Complex Environments. Journal of chemical theory and computation 15 (11) (2019)