246 results on '"Cortés-Guzmán, Fernando"'
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2. Interaction between chitosan and arsenic acid
3. Local temperature changes in molecular interactions
4. Substituent effect on the photoinduced geometrical changes of Cu[formula omitted]Phen[formula omitted] complexes
5. Introduction to QTAIM and beyond
6. Spin polarization of the atomic valence shell in metal complexes
7. Contributors
8. Structural and bond evolutions during a chemical reaction
9. Electrochemical mechanism of CO2 reduction mediated by NiII(tpa) (tpa = tris(2-pyridylmethyl)amine) complexes: An integral view
10. Efficient naked eye sensing of tartrate/malate based on a Zn-Xylenol orange complex in water and membrane-based test strips
11. Spin Energy Contributions of the Kinetic Energy Density in the Stabilization of the Metal–Ligand Interactions.
12. Computational modeling of metal ions removal by a modified polypropylene membrane
13. Pharmacophoric sites of anticancer metal complexes located using quantum topological atomic descriptors
14. Local temperature changes in molecular interactions
15. Stereoelectronic interactions are too weak to explain the molecular conformation in solid state of cis-2-tert-butyl-5-(tert-butylsulfonyl)-1,3-dioxane.
16. Design of growing points for silver nanoparticles on polypropylene membranes
17. Evolution of electron density towards the conical intersection of a nucleic acid purine
18. Do weak interactions affect the biological behavior of DNA? A DFT study of CpG island–like chains
19. Experimental and theoretical studies of new rhenium carbonyls containing 4,5-bis(chalcogenodiphenylphosphinoyl)-1,2,3-triazolates
20. Substituent effect on the photoinduced geometrical changes of Cu(I)Phen2 complexes
21. DNA recognition site of anticancer tinidazole copper(ii) complexes
22. How do density functionals affect the Hirshfeld atom refinement?
23. Hydrolysis of ester phosphates mediated by a copper complex
24. A 3D structural model of RsXXVIA, an ω-conotoxin
25. How solvent determines the molecular reactive conformation and the selectivity: Solvation spheres and energy
26. Chapter 1 - Introduction to QTAIM and beyond
27. Chapter 15 - Spin polarization of the atomic valence shell in metal complexes
28. Chapter 4 - Structural and bond evolutions during a chemical reaction
29. On the Nature of Hydrogen–Hydrogen Bonding
30. Choquet integral-based fuzzy molecular characterizations: when global definitions are computed from the dependency among atom/bond contributions (LOVIs/LOEIs)
31. Benzene and Borazine, so Different, yet so Similar: Insight from Experimental Charge Density Analysis
32. A new kind of intermolecular stacking interaction between copper (II) mixed chelate complex (Casiopeína III-ia) and adenine
33. The amphoteric role of nitrogen in the NX2 unit within crystals
34. The amphoteric role of nitrogen in the NX2 unit within crystals.
35. Intermediate Detection in the Casiopeina–Cysteine Interaction Ending in the Disulfide Bond Formation and Copper Reduction
36. Visualizing Correlation Regions: The Case of the Ammonia Crystal
37. Excited state dynamics and photochemistry of nitroaromatic compounds
38. Ancillary Ligand in Ternary CuII Complexes Guides Binding Selectivity toward Minor-Groove DNA
39. The Virial Field and Transferability in DNA Base-Pairing
40. Visualizing Correlation Regions: The Case of the Ammonia Crystal.
41. Impact of Conformations and Size on the Antileishmanial Activity of New Quinazoline Derivatives
42. Front Cover: Laplacian of the Hamiltonian Kinetic Energy Density as an Indicator of Binding and Weak Interactions (ChemPhysChem 3/2020)
43. Predicting reactive sites with quantum chemical topology: carbonyl additions in multicomponent reactions
44. From the Linnett–Gillespie model to the polarization of the spin valence shells of metals in complexes
45. Bisindole caulerpin analogues as nature-inspired photoresponsive molecules
46. Laplacian of the Hamiltonian Kinetic Energy Density as an Indicator of Binding and Weak Interactions
47. Complementarity of QTAIM and MO theory in the study of bonding in donor–acceptor complexes
48. Enhancing Acute Oral Toxicity Predictions by using Consensus Modeling and Algebraic Form-Based 0D-to-2D Molecular Encodes
49. Frontispiece: Origin of the Photoinduced Geometrical Change of Copper(I) Complexes from the Quantum Chemical Topology View
50. Reactivity patterns for the activation of CO2 and CS2 with alumoxane and aluminum hydrides
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