37 results on '"Gomez *, Rafael"'
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2. One-Pot Synthesis of CHA/ERI-Type Zeolite Intergrowth from a Single Multiselective Organic Structure-Directing Agent
3. Machine Learning Guided AQFEP: A Fast & Efficient Absolute Free Energy Perturbation Solution for Virtual Screening
4. Effect of Framework Composition and NH3 on the Diffusion of Cu+ in Cu-CHA Catalysts Predicted by Machine-Learning Accelerated Molecular Dynamics
5. A Model Ensemble Approach Enables Data-Driven Property Prediction for Chemically Deconstructable Thermosets in the Low-Data Regime
6. Unsupervised machine learning leads to an abiotic picomolar peptide ligand
7. Chemistry-Informed Machine Learning for Polymer Electrolyte Discovery
8. A Model Ensemble Approach Enables Data-Driven Property Prediction for Chemically Deconstructable Thermosets in the Low Data Regime
9. Expanded [23]-Helicene with Exceptional Chiroptical Properties via an Iterative Ring-Fusion Strategy
10. Neural Scaling of Deep Chemical Models
11. Machine Learning Guides Peptide Nucleic Acid Flow Synthesis and Sequence Design
12. GLAMOUR: Graph learning over macromolecule representations
13. Benchmarking binding energy calculations for organic structure-directing agents in pure-silica zeolites
14. Benchmarking binding energy calculations for organic structure-directing agents in pure-silica zeolites
15. Accuracy and Reproducibility of Host-Guest Interactions in Zeolites
16. Supramolecular Recognition in Crystalline Nanocavities Through Monte Carlo and Voronoi Network Algorithms
17. Supramolecular Recognition in Crystalline Nanocavities Through Monte Carlo and Voronoi Network Algorithms
18. Deep Learning for Prediction and Optimization of Fast-Flow Peptide Synthesis
19. Deep Learning for Prediction and Optimization of Fast-Flow Peptide Synthesis
20. Active Learning and Neural Network Potentials Accelerate Molecular Screening of Ether-based Solvate Ionic Liquids
21. Active Learning and Neural Network Potentials Accelerate Molecular Screening of Ether-based Solvate Ionic Liquids
22. Mapping structural similarity to framework interconversion in nanoporous silicates
23. Mapping structural similarity to framework interconversion in nanoporous silicates
24. Mapping structural similarity to framework interconversion in nanoporous silicates
25. Mapping structural similarity to framework interconversion in nanoporous silicates
26. Active Learning Accelerates Ab Initio Molecular Dynamics on Pericyclic Reactive Energy Surfaces
27. Active Learning Accelerates Ab Initio Molecular Dynamics on Pericyclic Reactive Energy Surfaces
28. Active Learning Accelerates Ab Initio Molecular Dynamics on Pericyclic Reactive Energy Surfaces
29. Anionic Carbosilane Dendrimers Destabilize the GP120-CD4 Complex Blocking HIV-1 Entry and Cell to Cell Fusion
30. Multinozzle Emitter Array Chips for Small-Volume Proteomics
31. Biocompatibility and Reduced Drug Absorption of Sol−Gel-Treated Poly(dimethyl siloxane) for Microfluidic Cell Culture Applications
32. Dinuclear titanium metallocene-type complexes with the bridging (dimethylsilylidene)bis(cyclopentadienyl) ligand. X-ray structures of [{TiCl2(.eta.5-C5Me5)}2{.mu.-.eta.5-.eta.5-(C5H4)2SiMe2}] and of [{TiCl(.eta.5-C5H5)}2(.mu.-O){.mu.-.eta.5-.eta.5-(C5H4)2SiMe2}]
33. Monocyclopentadienyl-type titanium complexes with the [.eta.5-.eta.5-(C5H4)2SiMe2]2-ligand. X-ray crystal structure of [(TiCl)2(.mu.2-O){.mu.2-.eta.5-.eta.5-(C5H4)2SiMe2}]2(.mu.2-O)2. The first example of a nonpolar titanium oxide ["Ti4O4"] core. [Erratum to document cited in CA118(19):191900f]
34. Monocyclopentadienyl-type titanium complexes with the [.eta.5-.eta.5-(C5H4)2SiMe2]2- ligand. X-ray crystal structure of [(TiCl)2(.mu.2-O){.mu.2-.eta.5-.eta.5-(C5H4)2SiMe2}]2(.mu.2-O)2. The first example of a nonplanar titanium oxide ["Ti4O4"] core
35. Group 4 ansa-metallocenes in oxidation state (III): synthesis, characterization, and chemical behavior. Crystal structure of {[.eta.5:.eta.5-(C5H4)2Si(CH3)2]TiCl(PMe2Ph)} [Erratum to document cited in CA114(23):229076z]
36. Dialkyl- and chloroalkyltitanium ansa-metallocene complexes: synthesis and characterization. Crystal structure of [.eta.5-.eta.5-(C5H4)2Si(CH3)2]TiClCH3
37. Group 4 ansa-metallocenes in oxidation state (III): synthesis, characterization, and chemical behavior. Crystal structure of [[.eta.5:.eta.5-(C5H4)2Si(CH3)2]TiCl(PMe2Ph)]
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