182 results on '"Cantu, David C."'
Search Results
2. Predicting Magnetic Barriers in Lanthanide Complexes with Electrostatic Potential Charges
3. Pairing a Global Optimization Algorithm with EXAFS to Characterize Lanthanide Structure in Solution.
4. Chelator‐Assisted Precipitation‐Based Separation of the Rare Earth Elements Neodymium and Dysprosium from Aqueous Solutions.
5. Electro-reduction of organics on metal cathodes: A multiscale-modeling study of benzaldehyde on Au (111)
6. Elucidating the Structure of the Eu‐EDTA Complex in Solution at Various Protonation States
7. Tailored Computational Approaches to Interrogate Heavy Element Chemistry and Structure in Condensed Phase
8. Front Cover: Structural Changes to the Gd‐DTPA Complex at Varying Ligand Protonation State (Eur. J. Inorg. Chem. 6/2024)
9. Effect of ion to ligand ratio on the aqueous to organic relative solubility of a lanthanide-ligand complex.
10. Predicting lanthanide coordination structures in solution with molecular simulation
11. Carbon-supported Pt during aqueous phenol hydrogenation with and without applied electrical potential: X-ray absorption and theoretical studies of structure and adsorbates
12. Structural Changes to the Gd‐DTPA Complex at Varying Ligand Protonation State
13. Integrated Solvent Design for CO2 Capture and Viscosity Tuning
14. Heterogeneous catalysis in complex, condensed reaction media
15. Acyltransferase families that act on thioesters: Sequences, structures, and mechanisms
16. Structural Changes to the Gd‐DTPA Complex at Varying Ligand Protonation State.
17. Acyltransferase families that act on thioesters: Sequences, structures, and mechanisms.
18. Mutation Space of Spatially Conserved Amino Acid Sites in Proteins
19. Analysis of the First Ion Coordination Sphere: A Toolkit to Analyze the Coordination Sphere of Ions
20. Solution Structures of Europium Terpyridyl Complexes with Nitrate and Triflate Counterions in Acetonitrile
21. Cation-Induced Disruption of the Local Structure of Water in Faujasite
22. Water Defect Stabilizes the Bi3+ Lone-Pair Electronic State Leading to an Unusual Aqueous Hydration Structure
23. Advanced Theory and Simulation to Guide the Development of CO2 Capture Solvents
24. Thioesterase enzyme families: Functions, structures, and mechanisms
25. The solution structures and relative stability constants of lanthanide–EDTA complexes predicted from computation
26. Chapter Seven - Predicting lanthanide coordination structures in solution with molecular simulation
27. Ionic Contraction across the Lanthanide Series Decreases the Temperature-Induced Disorder of the Water Coordination Sphere
28. Identifying representative sequences of protein families using submodular optimization
29. Structural classification of biotin carboxyl carrier proteins
30. Computational Prediction of All Lanthanide Aqua Ion Acidity Constants
31. Effect of Lanthanum Ions on the Brønsted Acidity of Faujasite and Implications for Hydrothermal Stability
32. Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments
33. Water Defect Stabilizes the Bi3+ Lone-Pair Electronic State Leading to an Unusual Aqueous Hydration Structure.
34. Structural classification and properties of ketoacyl reductases, hydroxyacyl dehydratases and enoyl reductases
35. Acyl carrier protein structural classification and normal mode analysis
36. Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy
37. Solution structure of a europium–nicotianamine complex supports that phytosiderophores bind lanthanides
38. Structural classification and properties of ketoacyl synthases
39. ThYme: a database for thioester-active enzymes
40. Metal–Organic Frameworks: On the Role of Enthalpic and Entropic Contributions to the Conformational Free Energy Landscape of MIL‐101(Cr) Secondary Building Units (Adv. Theory Simul. 12/2020)
41. Comparing conditional probabilities and statistical independence in layers of protection analysis
42. On the Role of Enthalpic and Entropic Contributions to the Conformational Free Energy Landscape of MIL‐101(Cr) Secondary Building Units
43. Cover Feature: Molecular‐Level Overhaul of γ‐Aminopropyl Aminosilicone/Triethylene Glycol Post‐Combustion CO 2 ‐Capture Solvents (ChemSusChem 13/2020)
44. Correction to Norm-Conserving Pseudopotentials and Basis Sets To Explore Lanthanide Chemistry in Complex Environments
45. Molecular‐Level Overhaul of γ‐Aminopropyl Aminosilicone/Triethylene Glycol Post‐Combustion CO2‐Capture Solvents
46. Thioesterases: A new perspective based on their primary and tertiary structures
47. Advanced Theory and Simulation to Guide the Development of CO2 Capture Solvents.
48. Ionic Contraction across the Lanthanide Series Decreases the Temperature-Induced Disorder of the Water Coordination Sphere.
49. Water Defect Stabilizes the Bi3+Lone-Pair Electronic State Leading to an Unusual Aqueous Hydration Structure
50. Subtle changes in hydrogen bond orientation result in glassification of carbon capture solvents
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.