Search research articles
Contact Us
Filters
Showing results (1-10 of 16) with videos related to
Page
of 2
Sort By:
Journal of Chemical Theory and Computation
|
September 16, 2022
Vibrational Circular Dichroism from DFT Molecular Dynamics: The AWV Method
Daria Ruth Galimberti
Journal of Chemical Theory and Computation
|
August 30, 2021
Chemically Accurate Vibrational Free Energies of Adsorption from Density Functional Theory Molecular Dynamics: Alkanes in Zeolites
Daria Ruth Galimberti, Joachim Sauer
Journal of Chemical Theory and Computation
|
February 25, 2026
Anharmonic Adsorption Free Energies Beyond GGA for Monomer Ethanol in H-ZSM-5
Dipanshu Kumar, Joachim Sauer, Daria Ruth Galimberti
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2019
Deconvolution of BIL-SFG and DL-SFG spectroscopic signals reveals order/disorder of water at the elusive aqueous silica interface
Simone Pezzotti, Daria Ruth Galimberti, Marie-Pierre Gaigeot
The Journal of Physical Chemistry Letters
|
June 24, 2017
2D H-Bond Network as the Topmost Skin to the Air-Water Interface
Simone Pezzotti, Daria Ruth Galimberti, Marie-Pierre Gaigeot
The Journal of Physical Chemistry. B
|
January 8, 2024
Unveiling Low THz Dynamics of Liquid Crystals: Identification of Intermolecular Interaction among Intramolecular Modes
Patrick Friebel, Daria Ruth Galimberti, Matteo Savoini, et al.
The Journal of Chemical Physics
|
February 3, 2019
DFT-MD of the (110)-Co<sub>3</sub>O<sub>4</sub> cobalt oxide semiconductor in contact with liquid water, preliminary chemical and physical insights into the electrochemical environment
Fabrizio Creazzo, Daria Ruth Galimberti, Simone Pezzotti, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 3, 2018
Structural definition of the BIL and DL: a new universal methodology to rationalize non-linear χ<sup>(2)</sup>(ω) SFG signals at charged interfaces, including χ<sup>(3)</sup>(ω) contributions
Simone Pezzotti, Daria Ruth Galimberti, Y Ron Shen, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 10, 2024
Assignment of IR spectra of ethanol at Brønsted sites of H-ZSM-5 to monomer adsorption using a Fermi resonance model
Dipanshu Kumar, Joachim Sauer, Alessia Airi, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 9, 2023
Revealing the Unique Role of Water in the Formation of Benzothiazoles: an Experimental and Computational Study
Dipanshu Kumar, Peter F Kuijken, Tjerk van de Poel, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
September 16, 2022
Vibrational Circular Dichroism from DFT Molecular Dynamics: The AWV Method
Daria Ruth Galimberti
Journal of Chemical Theory and Computation
|
August 30, 2021
Chemically Accurate Vibrational Free Energies of Adsorption from Density Functional Theory Molecular Dynamics: Alkanes in Zeolites
Daria Ruth Galimberti, Joachim Sauer
Journal of Chemical Theory and Computation
|
February 25, 2026
Anharmonic Adsorption Free Energies Beyond GGA for Monomer Ethanol in H-ZSM-5
Dipanshu Kumar, Joachim Sauer, Daria Ruth Galimberti
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2019
Deconvolution of BIL-SFG and DL-SFG spectroscopic signals reveals order/disorder of water at the elusive aqueous silica interface
Simone Pezzotti, Daria Ruth Galimberti, Marie-Pierre Gaigeot
The Journal of Physical Chemistry Letters
|
June 24, 2017
2D H-Bond Network as the Topmost Skin to the Air-Water Interface
Simone Pezzotti, Daria Ruth Galimberti, Marie-Pierre Gaigeot
The Journal of Physical Chemistry. B
|
January 8, 2024
Unveiling Low THz Dynamics of Liquid Crystals: Identification of Intermolecular Interaction among Intramolecular Modes
Patrick Friebel, Daria Ruth Galimberti, Matteo Savoini, et al.
The Journal of Chemical Physics
|
February 3, 2019
DFT-MD of the (110)-Co<sub>3</sub>O<sub>4</sub> cobalt oxide semiconductor in contact with liquid water, preliminary chemical and physical insights into the electrochemical environment
Fabrizio Creazzo, Daria Ruth Galimberti, Simone Pezzotti, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 3, 2018
Structural definition of the BIL and DL: a new universal methodology to rationalize non-linear χ<sup>(2)</sup>(ω) SFG signals at charged interfaces, including χ<sup>(3)</sup>(ω) contributions
Simone Pezzotti, Daria Ruth Galimberti, Y Ron Shen, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 10, 2024
Assignment of IR spectra of ethanol at Brønsted sites of H-ZSM-5 to monomer adsorption using a Fermi resonance model
Dipanshu Kumar, Joachim Sauer, Alessia Airi, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 9, 2023
Revealing the Unique Role of Water in the Formation of Benzothiazoles: an Experimental and Computational Study
Dipanshu Kumar, Peter F Kuijken, Tjerk van de Poel, et al.
Page
of 2