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Physical Chemistry Chemical Physics : PCCP
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October 16, 2025
Unraveling chemical bonding mechanisms through dipole moment variations under external electric fields
Jorge Charry, Matteo Barborini, Alexandre Tkatchenko
Journal of Chemical Theory and Computation
|
November 27, 2023
Force Field Analysis Software and Tools (FFAST): Assessing Machine Learning Force Fields under the Microscope
Gregory Fonseca, Igor Poltavsky, Alexandre Tkatchenko
Science Advances
|
May 6, 2022
Machine learning of material properties: Predictive and interpretable multilinear models
Alice E A Allen, Alexandre Tkatchenko
Nature Communications
|
December 12, 2023
Second quantization of many-body dispersion interactions for chemical and biological systems
Matteo Gori, Philip Kurian, Alexandre Tkatchenko
Nature Communications
|
February 8, 2017
Nanoscale π-π stacked molecules are bound by collective charge fluctuations
Jan Hermann, Dario Alfè, Alexandre Tkatchenko
Physical Review Letters
|
August 16, 2006
Potential energy landscape of monolayer-surface systems governed by repulsive lateral interactions: the case of (3 x 3)-I-Pt(111)
Alexandre Tkatchenko, Nikola Batina, Marcelo Galván
Accounts of Chemical Research
|
June 11, 2014
Modeling adsorption and reactions of organic molecules at metal surfaces
Wei Liu, Alexandre Tkatchenko, Matthias Scheffler
The Journal of Chemical Physics
|
March 6, 2024
Quantum Drude oscillators coupled with Coulomb potential as an efficient model for bonded and non-covalent interactions in atomic dimers
Matej Ditte, Matteo Barborini, Alexandre Tkatchenko
Journal of Chemical Theory and Computation
|
April 30, 2025
Molecule-Environment Embedding with Quantum Monte Carlo: Electrons Interacting with Drude Oscillators
Matej Ditte, Matteo Barborini, Alexandre Tkatchenko
Physical Review Letters
|
September 5, 2015
Steps or Terraces? Dynamics of Aromatic Hydrocarbons Adsorbed at Vicinal Metal Surfaces
Javier Camarillo-Cisneros, Wei Liu, Alexandre Tkatchenko
Page
of 20
Search research articles
Search
Showing results (31-40 of 199) with videos related to
Sort By:
Page
of 20
Physical Chemistry Chemical Physics : PCCP
|
October 16, 2025
Unraveling chemical bonding mechanisms through dipole moment variations under external electric fields
Jorge Charry, Matteo Barborini, Alexandre Tkatchenko
Journal of Chemical Theory and Computation
|
November 27, 2023
Force Field Analysis Software and Tools (FFAST): Assessing Machine Learning Force Fields under the Microscope
Gregory Fonseca, Igor Poltavsky, Alexandre Tkatchenko
Science Advances
|
May 6, 2022
Machine learning of material properties: Predictive and interpretable multilinear models
Alice E A Allen, Alexandre Tkatchenko
Nature Communications
|
December 12, 2023
Second quantization of many-body dispersion interactions for chemical and biological systems
Matteo Gori, Philip Kurian, Alexandre Tkatchenko
Nature Communications
|
February 8, 2017
Nanoscale π-π stacked molecules are bound by collective charge fluctuations
Jan Hermann, Dario Alfè, Alexandre Tkatchenko
Physical Review Letters
|
August 16, 2006
Potential energy landscape of monolayer-surface systems governed by repulsive lateral interactions: the case of (3 x 3)-I-Pt(111)
Alexandre Tkatchenko, Nikola Batina, Marcelo Galván
Accounts of Chemical Research
|
June 11, 2014
Modeling adsorption and reactions of organic molecules at metal surfaces
Wei Liu, Alexandre Tkatchenko, Matthias Scheffler
The Journal of Chemical Physics
|
March 6, 2024
Quantum Drude oscillators coupled with Coulomb potential as an efficient model for bonded and non-covalent interactions in atomic dimers
Matej Ditte, Matteo Barborini, Alexandre Tkatchenko
Journal of Chemical Theory and Computation
|
April 30, 2025
Molecule-Environment Embedding with Quantum Monte Carlo: Electrons Interacting with Drude Oscillators
Matej Ditte, Matteo Barborini, Alexandre Tkatchenko
Physical Review Letters
|
September 5, 2015
Steps or Terraces? Dynamics of Aromatic Hydrocarbons Adsorbed at Vicinal Metal Surfaces
Javier Camarillo-Cisneros, Wei Liu, Alexandre Tkatchenko
Page
of 20