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79 results on '"Tiznado, William"'

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1. B7Be6B7: A Boron‐Beryllium Sandwich Complex.

2. B7Be6B7: A Boron‐Beryllium Sandwich Complex.

3. Theoretical study of the adsorption of H on Sin clusters, (n=3–10).

4. Pseudopotential and electron propagator methods for the calculation of the photoelectron spectra of anionic silicon clusters: Predictions on Si10-.

5. Study of the Differential Activity of Thrombin Inhibitors Using Docking, QSAR, Molecular Dynamics, and MM-GBSA.

6. Fukui and dual-descriptor matrices in the basis-set representation: A spin-free approach

7. An Analysis of the Isomerization Energies of 1,2-/1,3-Diazacyclobutadiene, Pyrazole/lmidazole, and Pyridazine/Pyrimidine with the Turn-Upside-Down Approach.

8. Designing 3-D Molecular Stars.

9. A proposal for a new local hardness as selectivity index

10. Quinolin-2(1H-)-one-isoxazole dye as an acceptor for mild addition of bisulfite in cationic or zwitterionic aqueous micellar solutions.

11. Exploring aromatic rings with planar tetracoordinate group 13–15 atoms.

12. Striking Borane Planarization in the Thermal Rearrangement (η5‐C5H5)Fe(η3‐B5H10)→(η5‐C5H5)Fe(η5‐B5H10)

13. Relativistic effects on the ring current strengths of the substituted borazine: B3N3H6 (X=H, F, Cl, Br, I, At).

14. Neither too Classic nor too Exotic: One‐Electron Na⋅B Bond in NaBH3− Cluster.

15. Neither too Classic nor too Exotic: One‐Electron Na⋅B Bond in NaBH3− Cluster.

16. Li6E5Li6: Tetrel Sandwich Complexes with 10‐π‐Electrons.

17. Li6E5Li6: Tetrel Sandwich Complexes with 10‐π‐Electrons.

18. Aromaticity and Magnetic Behavior in Benzenoids: Unraveling Ring Current Combinations.

19. Steady State Kinetics for Enzymes with Multiple Binding Sites Upstream of the Catalytic Site.

20. Exploring the Potential Energy Surface of Medium-Sized Aromatic Polycyclic Systems with Embedded Planar Tetracoordinate Carbons: A Guided Approach.

21. Quest for the Most Aromatic Pathway in Charged Expanded Porphyrins.

22. Si6C18: A bispentalene derivative with two planar tetracoordinate carbons.

23. Planar Elongated B 12 Structure in M 3 B 12 Clusters (M = Cu-Au).

24. E6C15 (E = Si–Pb): polycyclic aromatic compounds with three planar tetracoordinate carbons.

25. Kinetic study on the.

26. Insights into the Interactions between Maleimide Derivates and GSK3β Combining Molecular Docking and QSAR.

27. (E)-2-(Benzo[d]thiazol-2-yl)-3-heteroarylacrylonitriles as efficient Michael acceptors for cysteine: Real application in biological imaging.

28. An orbital localization criterion based on the topological analysis of the electron localization function.

29. Analysis of Why Boron Avoids sp2 Hybridization and Classical Structures in the B nH n+2 Series.

30. 1,3-Dipolar cycloaddition of nitrile imines with α,β-unsaturated lactones, thiolactones and lactams: synthesis of ring-fused pyrazoles

31. Models of the pharmacophoric pattern and affinity trend of methyl 2-(aminomethyl)-1-phenylcyclopropane-1-carboxylate derivatives as σ 1 ligands.

32. Planar Hypercoordinate Carbons in Alkali Metal Decorated CE32− and CE22− Dianions.

33. Analysis of Local and Global Aromaticity in Si3C5 and Si4C8 Clusters. Aromatic Species Containing Planar Tetracoordinate Carbon.

34. On the NICS limitations to predict local and global current pathways in polycyclic systems.

35. Planar Hexacoordinate Carbons: Half Covalent, Half Ionic.

36. Planar Hexacoordinate Carbons: Half Covalent, Half Ionic.

37. Symmetry-adapted formulation of the hybrid treatment resulting from the G-particle-hole Hypervirial equation and equations of motion methods: a procedure for modeling solids.

38. Structure–antioxidant activity relationships in boldine and glaucine: a DFT study.

39. Evaluation of restricted probabilistic cellular automata on the exploration of the potential energy surface of Be6B11−.

40. Graphene-supported MB36 clusters (M=Fe, Co, Ni) as a single-atom electrocatalyst for the oxygen reduction reaction: A DFT study.

41. Alterations of Mitochondrial Biology in the Oral Mucosa of Chilean Children with Autism Spectrum Disorder (ASD).

42. Carbon rings decorated with group 14 elements: new aromatic clusters containing planar tetracoordinate carbon.

43. Formation of small clusters of NaCl dihydrate in the gas phase.

44. Interpreting Aromaticity and Antiaromaticity through Bifurcation Analysis of the Induced Magnetic Field.

45. (Li6Si5)2–5: The Smallest Cluster‐Assembled Materials Based on Aromatic Si56− Rings.

46. Aromaticity of [M3(µ‐X)3X6]0/2– (M = Re and Tc, X = Cl, Br, I) Clusters Confirmed by Ring Current Analysis and Induced Magnetic Field.

47. An orbital localization criterion based on the topological analysis of the electron localization function at correlated level.

48. E5M7+ (E=C–Pb, M=Li–Cs): A Source of Viable Star‐Shaped Clusters.

49. Study of the affinity between the protein kinase PKA and homoarginine‐containing peptides derived from kemptide: Free energy perturbation (FEP) calculations.

50. A Fukui function-guided genetic algorithm. Assessment on structural prediction of Si n ( n = 12-20) clusters.

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