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Journal of Chemical Theory and Computation|September 16, 2022
Vibrational Circular Dichroism from DFT Molecular Dynamics: The AWV MethodDaria 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 ZeolitesDaria 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-5Dipanshu 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 interfaceSimone 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 InterfaceSimone 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 ModesPatrick 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 environmentFabrizio 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) contributionsSimone 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 modelDipanshu 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 StudyDipanshu Kumar, Peter F Kuijken, Tjerk van de Poel, et al.
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