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The Journal of Chemical Physics
|
July 9, 2021
Progress and challenges in ab initio simulations of quantum nuclei in weakly bonded systems
Mariana Rossi
Physical Review Letters
|
December 4, 2020
Multidimensional Hydrogen Tunneling in Supported Molecular Switches: The Role of Surface Interactions
Yair Litman, Mariana Rossi
Physical Review Letters
|
June 23, 2025
Non-Markovian Effects in Quantum Rate Calculations of Hydrogen Diffusion with Electronic Friction
George Trenins, Mariana Rossi
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 25, 2015
Going clean: structure and dynamics of peptides in the gas phase and paths to solvation
Carsten Baldauf, Mariana Rossi
The Journal of Physical Chemistry Letters
|
January 2, 2016
Stability of Complex Biomolecular Structures: van der Waals, Hydrogen Bond Cooperativity, and Nuclear Quantum Effects
Mariana Rossi, Wei Fang, Angelos Michaelides
Physical Review Letters
|
September 24, 2016
Anharmonic and Quantum Fluctuations in Molecular Crystals: A First-Principles Study of the Stability of Paracetamol
Mariana Rossi, Piero Gasparotto, Michele Ceriotti
The Journal of Physical Chemistry. B
|
November 23, 2012
Water adsorption at two unsolvated peptides with a protonated lysine residue: from self-solvation to solvation
Sucismita Chutia, Mariana Rossi, Volker Blum
The Journal of Chemical Physics
|
March 8, 2023
Ab initio study of water dissociation on a charged Pd(111) surface
Karen Fidanyan, Guoyuan Liu, Mariana Rossi
ACS Nano
|
February 9, 2026
Tip-Enhanced Raman Images of Realistic Systems through Ab Initio Modeling
Krystof Brezina, Yair Litman, Mariana Rossi
Faraday Discussions
|
September 24, 2019
Temperature dependence of the vibrational spectrum of porphycene: a qualitative failure of classical-nuclei molecular dynamics
Yair Litman, Jörg Behler, Mariana Rossi
Page
of 7
Search research articles
Search
Showing results (1-10 of 65) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
July 9, 2021
Progress and challenges in ab initio simulations of quantum nuclei in weakly bonded systems
Mariana Rossi
Physical Review Letters
|
December 4, 2020
Multidimensional Hydrogen Tunneling in Supported Molecular Switches: The Role of Surface Interactions
Yair Litman, Mariana Rossi
Physical Review Letters
|
June 23, 2025
Non-Markovian Effects in Quantum Rate Calculations of Hydrogen Diffusion with Electronic Friction
George Trenins, Mariana Rossi
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 25, 2015
Going clean: structure and dynamics of peptides in the gas phase and paths to solvation
Carsten Baldauf, Mariana Rossi
The Journal of Physical Chemistry Letters
|
January 2, 2016
Stability of Complex Biomolecular Structures: van der Waals, Hydrogen Bond Cooperativity, and Nuclear Quantum Effects
Mariana Rossi, Wei Fang, Angelos Michaelides
Physical Review Letters
|
September 24, 2016
Anharmonic and Quantum Fluctuations in Molecular Crystals: A First-Principles Study of the Stability of Paracetamol
Mariana Rossi, Piero Gasparotto, Michele Ceriotti
The Journal of Physical Chemistry. B
|
November 23, 2012
Water adsorption at two unsolvated peptides with a protonated lysine residue: from self-solvation to solvation
Sucismita Chutia, Mariana Rossi, Volker Blum
The Journal of Chemical Physics
|
March 8, 2023
Ab initio study of water dissociation on a charged Pd(111) surface
Karen Fidanyan, Guoyuan Liu, Mariana Rossi
ACS Nano
|
February 9, 2026
Tip-Enhanced Raman Images of Realistic Systems through Ab Initio Modeling
Krystof Brezina, Yair Litman, Mariana Rossi
Faraday Discussions
|
September 24, 2019
Temperature dependence of the vibrational spectrum of porphycene: a qualitative failure of classical-nuclei molecular dynamics
Yair Litman, Jörg Behler, Mariana Rossi
Page
of 7