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Daniel Sethio

Showing results (1-10 of 20) with videos related to

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Chemsuschem|September 19, 2025
<sup>7</sup>Li NMR Chemical Shifts in Battery-Relevant Electrolytes: Ligand-Induced Shifts Cancel in Both Experiment and CalculationDaniel Sethio, Philippe Bopp, Kersti Hermansson
Molecules (Basel, Switzerland)|October 28, 2018
Quantitative Assessment of Tetrel Bonding Utilizing Vibrational SpectroscopyDaniel Sethio, Vytor Oliveira, Elfi Kraka
Journal of Chemical Theory and Computation|November 2, 2020
Halogen Bond of Halonium Ions: Benchmarking DFT Methods for the Description of NMR Chemical ShiftsDaniel Sethio, Gerardo Raggi, Roland Lindh, et al.
Journal of Chemical Theory and Computation|February 4, 2026
Machine-Learning Ice Spectra: From 1 to 256 FeaturesShokirbek Shermukhamedov, Jolla Kullgren, Daniel Sethio, et al.
Physical Chemistry Chemical Physics : PCCP|September 13, 2018
From strong to weak NF bonds: on the design of a new class of fluorinating agentsDani Setiawan, Daniel Sethio, Dieter Cremer, et al.
The Journal of Physical Chemistry. A|March 14, 2024
A Story of Three Levels of Sophistication in SCF/KS-DFT Orbital Optimization ProceduresDaniel Sethio, Emily Azzopardi, Ignacio Fdez Galván, et al.
Chemical Communications (Cambridge, England)|June 1, 2021
Modulating photoswitch performance with halogen, coordinative and hydrogen bonding: a comparison of relative bond strengthsSofia Lindblad, Daniel Sethio, Orion B Berryman, et al.
ACS Omega|June 8, 2019
Accurate Computational Thermodynamics Using Anharmonic Density Functional Theory Calculations: The Case Study of B-H SpeciesRobert Maillard, Daniel Sethio, Hans Hagemann, et al.
The Journal of Physical Chemistry. A|February 14, 2019
Theoretical Study of Halogenated B<sub>12</sub>H <sub>n</sub>X<sub>(12- n)</sub><sup>2-</sup> (X = F, Cl, Br)Manish Sharma, Daniel Sethio, Latévi Max Lawson Daku, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 8, 2019
Quantitative Assessment of B-B-B, B-H<sub>b</sub> -B, and B-H<sub>t</sub> Bonds: From BH<sub>3</sub> to B<sub>12</sub> H<sub>12</sub><sup>2</sup>Daniel Sethio, Latévi Max Lawson Daku, Hans Hagemann, et al.
Pageof 2

Showing results (1-10 of 20) with videos related to

Sort By:
Pageof 2
Chemsuschem|September 19, 2025
<sup>7</sup>Li NMR Chemical Shifts in Battery-Relevant Electrolytes: Ligand-Induced Shifts Cancel in Both Experiment and CalculationDaniel Sethio, Philippe Bopp, Kersti Hermansson
Molecules (Basel, Switzerland)|October 28, 2018
Quantitative Assessment of Tetrel Bonding Utilizing Vibrational SpectroscopyDaniel Sethio, Vytor Oliveira, Elfi Kraka
Journal of Chemical Theory and Computation|November 2, 2020
Halogen Bond of Halonium Ions: Benchmarking DFT Methods for the Description of NMR Chemical ShiftsDaniel Sethio, Gerardo Raggi, Roland Lindh, et al.
Journal of Chemical Theory and Computation|February 4, 2026
Machine-Learning Ice Spectra: From 1 to 256 FeaturesShokirbek Shermukhamedov, Jolla Kullgren, Daniel Sethio, et al.
Physical Chemistry Chemical Physics : PCCP|September 13, 2018
From strong to weak NF bonds: on the design of a new class of fluorinating agentsDani Setiawan, Daniel Sethio, Dieter Cremer, et al.
The Journal of Physical Chemistry. A|March 14, 2024
A Story of Three Levels of Sophistication in SCF/KS-DFT Orbital Optimization ProceduresDaniel Sethio, Emily Azzopardi, Ignacio Fdez Galván, et al.
Chemical Communications (Cambridge, England)|June 1, 2021
Modulating photoswitch performance with halogen, coordinative and hydrogen bonding: a comparison of relative bond strengthsSofia Lindblad, Daniel Sethio, Orion B Berryman, et al.
ACS Omega|June 8, 2019
Accurate Computational Thermodynamics Using Anharmonic Density Functional Theory Calculations: The Case Study of B-H SpeciesRobert Maillard, Daniel Sethio, Hans Hagemann, et al.
The Journal of Physical Chemistry. A|February 14, 2019
Theoretical Study of Halogenated B<sub>12</sub>H <sub>n</sub>X<sub>(12- n)</sub><sup>2-</sup> (X = F, Cl, Br)Manish Sharma, Daniel Sethio, Latévi Max Lawson Daku, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 8, 2019
Quantitative Assessment of B-B-B, B-H<sub>b</sub> -B, and B-H<sub>t</sub> Bonds: From BH<sub>3</sub> to B<sub>12</sub> H<sub>12</sub><sup>2</sup>Daniel Sethio, Latévi Max Lawson Daku, Hans Hagemann, et al.
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