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The Journal of Chemical Physics
|
July 25, 2023
Water on ceria{111}: Comparison between 23 experimental vibrational studies in the literature and new modeling
Andreas Röckert, Jolla Kullgren, Daniel Sethio, et al.
The Journal of Chemical Physics
|
December 15, 2020
Local vibrational mode analysis of ion-solvent and solvent-solvent interactions for hydrated Ca<sup>2+</sup> clusters
Alexis A A Delgado, Daniel Sethio, Ipek Munar, et al.
Journal of the American Chemical Society
|
July 8, 2021
Probing Halogen Bonds by Scalar Couplings
Bono Jimmink, Daniel Sethio, Lotta Turunen, et al.
The Journal of Physical Chemistry. A
|
January 31, 2020
Modified Density Functional Dispersion Correction for Inorganic Layered MFX Compounds (M = Ca, Sr, Ba, Pb and X = Cl, Br, I)
Daniel Sethio, João B L Martins, Latévi Max Lawson Daku, et al.
Chemical Communications (Cambridge, England)
|
April 11, 2022
Do 2-coordinate iodine(I) and silver(I) complexes form nucleophilic iodonium interactions (NIIs) in solution?
Scott Wilcox, Daniel Sethio, Jas S Ward, et al.
Organic & Biomolecular Chemistry
|
September 15, 2021
Are bis(pyridine)iodine(I) complexes applicable for asymmetric halogenation?
Daniel von der Heiden, Flóra Boróka Németh, Måns Andreasson, et al.
Journal of Chemical Information and Modeling
|
December 23, 2022
Simulation Reveals the Chameleonic Behavior of Macrocycles
Daniel Sethio, Vasanthanathan Poongavanam, Ruisheng Xiong, et al.
Journal of Chemical Theory and Computation
|
February 19, 2019
In Situ Measure of Intrinsic Bond Strength in Crystalline Structures: Local Vibrational Mode Theory for Periodic Systems
Yunwen Tao, Wenli Zou, Daniel Sethio, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
June 6, 2020
Computational analysis of vibrational frequencies and rovibrational spectroscopic constants of hydrogen sulfide dimer using MP2 and CCSD(T)
João B L Martins, Rabeshe P Quintino, José R Dos S Politi, et al.
Journal of Molecular Modeling
|
August 6, 2025
Influence of carboxymethyl chitosan chain length on its interaction with vitamin C and curcumin: molecular docking and molecular dynamic approach
Nabela Audryna Amalia Insani, Nurwarrohman Andre Sasongko, Suci Zulaikha Hildayani, et al.
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Search research articles
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Showing results (11-20 of 20) with videos related to
Sort By:
Page
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You have reached the last page of results.
This site can display upto 20 results.
The Journal of Chemical Physics
|
July 25, 2023
Water on ceria{111}: Comparison between 23 experimental vibrational studies in the literature and new modeling
Andreas Röckert, Jolla Kullgren, Daniel Sethio, et al.
The Journal of Chemical Physics
|
December 15, 2020
Local vibrational mode analysis of ion-solvent and solvent-solvent interactions for hydrated Ca<sup>2+</sup> clusters
Alexis A A Delgado, Daniel Sethio, Ipek Munar, et al.
Journal of the American Chemical Society
|
July 8, 2021
Probing Halogen Bonds by Scalar Couplings
Bono Jimmink, Daniel Sethio, Lotta Turunen, et al.
The Journal of Physical Chemistry. A
|
January 31, 2020
Modified Density Functional Dispersion Correction for Inorganic Layered MFX Compounds (M = Ca, Sr, Ba, Pb and X = Cl, Br, I)
Daniel Sethio, João B L Martins, Latévi Max Lawson Daku, et al.
Chemical Communications (Cambridge, England)
|
April 11, 2022
Do 2-coordinate iodine(I) and silver(I) complexes form nucleophilic iodonium interactions (NIIs) in solution?
Scott Wilcox, Daniel Sethio, Jas S Ward, et al.
Organic & Biomolecular Chemistry
|
September 15, 2021
Are bis(pyridine)iodine(I) complexes applicable for asymmetric halogenation?
Daniel von der Heiden, Flóra Boróka Németh, Måns Andreasson, et al.
Journal of Chemical Information and Modeling
|
December 23, 2022
Simulation Reveals the Chameleonic Behavior of Macrocycles
Daniel Sethio, Vasanthanathan Poongavanam, Ruisheng Xiong, et al.
Journal of Chemical Theory and Computation
|
February 19, 2019
In Situ Measure of Intrinsic Bond Strength in Crystalline Structures: Local Vibrational Mode Theory for Periodic Systems
Yunwen Tao, Wenli Zou, Daniel Sethio, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
June 6, 2020
Computational analysis of vibrational frequencies and rovibrational spectroscopic constants of hydrogen sulfide dimer using MP2 and CCSD(T)
João B L Martins, Rabeshe P Quintino, José R Dos S Politi, et al.
Journal of Molecular Modeling
|
August 6, 2025
Influence of carboxymethyl chitosan chain length on its interaction with vitamin C and curcumin: molecular docking and molecular dynamic approach
Nabela Audryna Amalia Insani, Nurwarrohman Andre Sasongko, Suci Zulaikha Hildayani, et al.
Page
of 2