364 results on '"Pichierri, Fabio"'
Search Results
2. Isomers and neutral precursors of the cyclopentenium ion, cyclo-C5H7+: structural diversity, vibrational spectra, and charge distribution
3. Tri-tert-butyl methane and its halogen analogues: a computational study of intramolecular interactions in a family of sterically crowded molecules
4. IYPt is a highly polar, nonlinear triatomic molecule
5. Giulio Fermi's contributions to biophysics and molecular biology
6. Theoretical insights into the nature of the bonding between carbon monoxide and iron(II) phthalocyanine: How do QTAIM descriptors change as a function of the Fe–CO distance?
7. Auride ion interaction with borane: A theoretical study of AuBH3−
8. IYPt is a highly polar, nonlinear triatomic molecule
9. Boron-nitrogen analogues of cyclo[18]carbon
10. Protein conformational dynamics and electronic structure
11. Dipole-dipole interactions in protein-protein complexes: a quantum mechanical study of the ubiquitin-Dsk2 complex
12. Quantum Proteomics
13. A quantum mechanical analysis of the light-harvesting complex 2 from purple photosynthetic bacteria. Insights into the electrostatic effects of transmembrane helices
14. The electronic structure and dipole moment of charybdotoxin, a scorpion venom peptide with K+ channel blocking activity
15. Macrodipoles of potassium and chloride ion channels as revealed by electronic structure calculations
16. Adamantane template effect on the self-assembly of a molecular tetrahedron: A theoretical analysis
17. Isomers and neutral precursors of the cyclopentenium ion, cyclo-C5H7+: structural diversity, vibrational spectra, and charge distribution.
18. Molecular structures of two tetrodotoxin analogs containing a monooxa-hydrocarbon cage: A computational study
19. Chemical Stabilization of [4]Cycloparaphenylene via Encapsulation of Alkaline-earth Metals
20. Molecular structure and conformations of caramboxin, a natural neurotoxin from the star fruit: A computational study
21. Tri-tert-butyl methane and its halogen analogues: a computational study of intramolecular interactions in a family of sterically crowded molecules
22. Theoretical study of the interaction between carbon-carbon triple bonds in cyclic diynes: a combined DFT and QTAIM approach
23. Molecular triskelions: structure and bonding in the perhalogenated analogues of boric acid, X3BO3 (X=F, Cl, Br, I)
24. Macrocycles for the complexation of radiocesium: a concise review of crystallographic and computational studies
25. Comment on “Revealing the new structure of B8N8 nanocage and comparison of hydrogen storage capacity” [Chem. Phys. 559 (2022) 111540]
26. Polyhedral Heteroborane Clusters for Nanotechnology
27. Cs+–π interactions and the design of macrocycles for the capture of environmental radiocesium (Cs-137): DFT, QTAIM, and CSD studies
28. FICA, a new chiral derivatizing agent for determining the absolute configuration of secondary alcohols by 19F and 1H NMR spectroscopies
29. Theoretical insights into the structure of the η5-(Cp∗)C+ cation
30. Binding of molecular hydrogen to halide anions: A computational exploration of eco-friendly materials for hydrogen storage
31. A quantum mechanical analysis of the light-harvesting complex 2 (LH2) from purple photosynthetic bacteria: Insights into the electrostatic effects of transmembrane helices
32. The electronic structure and dipole moment of charybdotoxin, a scorpion venom peptide with K + channel blocking activity
33. Structure and bonding in polybromide anions Br −(Br 2) n ( n = 1–6)
34. Theoretical study of [ n]ivyanes, n = 2–8
35. Stabilization of <italic>cyclo-</italic>N6 by insertion into [18]-annulene: a DFT study.
36. Theoretical characterization of the sulfilimine bond: Double or single?
37. Computational design of cucurbituril-acene hybrids for the optical detection of cesium ions: DFT and TD-DFT studies
38. Coupled cluster study of the phenyl-acetylide anion
39. Corrigendum to “Boron-nitrogen analogues of cyclo[18]carbon” [Chem. Phys. Lett. 738 (2020) 136860]
40. Solid-state supramolecular array through cooperative π–π interactions of 1-(2-methoxyphenyl)- o-carborane
41. Theoretical study of subporphyrins
42. Affinity of ferrocene and (1,1′)(3,3′)[3,3]ferrocenophane to cations
43. A theoretical ab initio study of [ n. n]paracyclophane complexes with cations
44. Free-energy maps of base-amino acid interactions for DNA-protein recognition
45. Computer-aided design of nanostructured materials containing trisaza-bridged [60]fullerene
46. Insights into the interplay between electronic structure and protein dynamics: The case of ubiquitin
47. Counterintuitive affinity of [2.2]paracyclophane to cations
48. Encapsulation of halide anions in perhydrogenated silicon fullerene: X −@Si 20H 20 (X = F, Cl, Br, I)
49. Nanosoldering of thia-cucurbituril macrocycles with transition metals affords novel tubular nanostructures: A computational study
50. Signal-Transducing Proteins for Nanoelectronics
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.