23 results on '"Fonseca Guerra, Célia"'
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2. Computational Prediction of Tc-99 NMR Chemical Shifts in Technetium Complexes with Radiopharmaceutical Applications
3. Polycyclic Aromatic Hydrocarbons (PAHs) in Interstellar Ices: A Computational Study into How the Ice Matrix Influences the Ionic State of PAH Photoproducts
4. Lack of Cooperativity in the Triangular X3Halogen-Bonded Synthon?
5. Tuning the Binding Strength of Even and Uneven Hydrogen-Bonded Arrays with Remote Substituents
6. Halogen Bonds in Ligand–Protein Systems: Molecular Orbital Theory for Drug Design
7. Hydrogen-Bonded Rosettes of Aminotriazines for Selective-Ion Recognition
8. Alkali Metal Cation Affinities of Neutral Maingroup-Element Hydrides across the Periodic Table
9. Secondary Electrostatic Interaction Model Revised: Prediction Comes Mainly from Measuring Charge Accumulation in Hydrogen-Bonded Monomers
10. Redox Interconversion between Cobalt(III) Thiolate and Cobalt(II) Disulfide Compounds
11. NMR 1H-Shielding Constants of Hydrogen-Bond Donor Reflect Manifestation of the Pauli Principle
12. Nature of Intramolecular Resonance Assisted Hydrogen Bonding in Malonaldehyde and Its Saturated Analogue
13. New Insight into the Nature of Bonding in the Dimers of Lappert’s Stannylene and Its Ge Analogs: A Quantum Mechanical Study
14. Crystallographic and Computational Study on Cationic Triply Hydrogen-Bonded Nucleobases without Direct Anionic Stabilization
15. Thermodynamic Aspects of Aurophilic Hydrogelators
16. Thermodynamics of the CuII μ-Thiolate and CuI Disulfide Equilibrium: A Combined Experimental and Theoretical Study
17. tert-Butyl Cation Affinities of Maingroup-Element Hydrides: Effect of Methyl Substituents at the Protophilic Center
18. Table Salt and Other Alkali Metal Chloride Oligomers: Structure, Stability, and Bonding
19. Covalency in Highly Polar Bonds. Structure and Bonding of Methylalkalimetal Oligomers (CH3M)n (M = Li−Rb; n = 1, 4)
20. Hydrogen Bonds of RNA Are Stronger than Those of DNA, but NMR Monitors Only Presence of Methyl Substituent in Uracil/Thymine
21. Orbital Interactions in Hydrogen Bonds Important for Cohesion in Molecular Crystals and Mismatched Pairs of DNA Bases
22. Hydrogen Bonding in DNA Base Pairs: Reconciliation of Theory and Experiment
23. The Carbon−Lithium Electron Pair Bond in (CH3Li)n(n= 1, 2, 4)
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