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Accounts of Chemical Research|March 10, 2026
From Covalent Systems to Bulk Phases: Addressing Structural Complexity with Computational NMRGiacomo SaielliThe Journal of Physical Chemistry. B|February 6, 2016
Fully Atomistic Simulations of the Ionic Liquid Crystal [C16mim][NO3]: Orientational Order Parameters and Voids DistributionGiacomo SaielliPhysical Chemistry Chemical Physics : PCCP|May 27, 2026
Relativistic DFT-NMR of <sup>19</sup>F in tantalum(V) and niobium(V) fluorohalidesGiacomo SaielliThe Journal of Physical Chemistry. A|August 14, 2008
Ion-pairing of octyl viologen diiodide in low-polar solvents: an experimental and computational studyGiacomo SaielliPhysical Chemistry Chemical Physics : PCCP|October 22, 2021
The effect of hydration on the stability of ionic liquid crystals: MD simulations of [C<sub>14</sub>C<sub>1</sub>im]Cl and [C<sub>14</sub>C<sub>1</sub>im]Cl·H<sub>2</sub>OGiacomo SaielliChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 12, 2024
Through-space scalar spin-spin coupling: from rigid intramolecular cases to short-lived van der Waals complexesGiacomo SaielliJournal of Computational Chemistry|June 27, 2023
Computational NMR spectroscopy of <sup>205</sup> TlGiacomo SaielliThe Journal of Physical Chemistry. A|June 10, 2010
Differential solvation free energies of oxonium and ammonium ions: insights from quantum chemical calculationsGiacomo SaielliMagnetic Resonance in Chemistry : MRC|December 10, 2019
One-bond <sup>1</sup> J(<sup>15</sup> N─<sup>19</sup> F) spin-spin coupling constants of cationic fluorinating reagents: Insights from DFT calculationsGiacomo SaielliMolecules (Basel, Switzerland)|May 6, 2020
Computational NMR Spectroscopy of Ionic Liquids: [C<sub>4</sub>C<sub>1</sub>im]Cl/Water MixturesGiacomo SaielliPageof 8