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Physical Chemistry Chemical Physics : PCCP
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February 25, 2020
Polaronic structure of excess electrons and holes for a series of bulk iron oxides
Christian S Ahart, Jochen Blumberger, Kevin M Rosso
Journal of the American Chemical Society
|
October 17, 2009
Single-ion reorganization free energy of aqueous Ru(bpy)32+/3+ and Ru(H2O)62+/3+ from photoemission spectroscopy and density functional molecular dynamics simulation
Robert Seidel, Manfred Faubel, Bernd Winter, et al.
The Journal of Chemical Physics
|
January 7, 2005
Density functional calculation of the electronic absorption spectrum of Cu+ and Ag+ aqua ions
Leonardo Bernasconi, Jochen Blumberger, Michiel Sprik, et al.
Nature Communications
|
December 22, 2025
Transiently delocalised hybrid quantum states are gateways for efficient exciton dissociation at organic donor-acceptor interfaces
Filip Ivanović, Samuele Giannini, Wei-Tao Peng, et al.
The Journal of Physical Chemistry Letters
|
January 17, 2025
Mechanism of Fe(II) Chemisorption on Hematite(001) Revealed by Reactive Neural Network Potential Molecular Dynamics
Kit Joll, Philipp Schienbein, Kevin M Rosso, et al.
The Journal of Physical Chemistry. B
|
March 2, 2026
Transition from Vehicular to Structural Ionic Transport in Electrified Alkali Aqueous Solutions
Kit Joll, Philipp Schienbein, Kevin M Rosso, et al.
Journal of the American Chemical Society
|
June 6, 2012
Thermodynamics of electron flow in the bacterial deca-heme cytochrome MtrF
Marian Breuer, Piotr Zarzycki, Jochen Blumberger, et al.
The Journal of Chemical Physics
|
February 18, 2006
Diabatic free energy curves and coordination fluctuations for the aqueous Ag+Ag2+ redox couple: a biased Born-Oppenheimer molecular dynamics investigation
Jochen Blumberger, Ivano Tavernelli, Michael L Klein, et al.
Nature Communications
|
September 18, 2024
Machine learning the electric field response of condensed phase systems using perturbed neural network potentials
Kit Joll, Philipp Schienbein, Kevin M Rosso, et al.
Journal of the Royal Society, Interface
|
November 21, 2014
Multi-haem cytochromes in Shewanella oneidensis MR-1: structures, functions and opportunities
Marian Breuer, Kevin M Rosso, Jochen Blumberger, et al.
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of 12
Search research articles
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Showing results (51-60 of 111) with videos related to
Sort By:
Page
of 12
Physical Chemistry Chemical Physics : PCCP
|
February 25, 2020
Polaronic structure of excess electrons and holes for a series of bulk iron oxides
Christian S Ahart, Jochen Blumberger, Kevin M Rosso
Journal of the American Chemical Society
|
October 17, 2009
Single-ion reorganization free energy of aqueous Ru(bpy)32+/3+ and Ru(H2O)62+/3+ from photoemission spectroscopy and density functional molecular dynamics simulation
Robert Seidel, Manfred Faubel, Bernd Winter, et al.
The Journal of Chemical Physics
|
January 7, 2005
Density functional calculation of the electronic absorption spectrum of Cu+ and Ag+ aqua ions
Leonardo Bernasconi, Jochen Blumberger, Michiel Sprik, et al.
Nature Communications
|
December 22, 2025
Transiently delocalised hybrid quantum states are gateways for efficient exciton dissociation at organic donor-acceptor interfaces
Filip Ivanović, Samuele Giannini, Wei-Tao Peng, et al.
The Journal of Physical Chemistry Letters
|
January 17, 2025
Mechanism of Fe(II) Chemisorption on Hematite(001) Revealed by Reactive Neural Network Potential Molecular Dynamics
Kit Joll, Philipp Schienbein, Kevin M Rosso, et al.
The Journal of Physical Chemistry. B
|
March 2, 2026
Transition from Vehicular to Structural Ionic Transport in Electrified Alkali Aqueous Solutions
Kit Joll, Philipp Schienbein, Kevin M Rosso, et al.
Journal of the American Chemical Society
|
June 6, 2012
Thermodynamics of electron flow in the bacterial deca-heme cytochrome MtrF
Marian Breuer, Piotr Zarzycki, Jochen Blumberger, et al.
The Journal of Chemical Physics
|
February 18, 2006
Diabatic free energy curves and coordination fluctuations for the aqueous Ag+Ag2+ redox couple: a biased Born-Oppenheimer molecular dynamics investigation
Jochen Blumberger, Ivano Tavernelli, Michael L Klein, et al.
Nature Communications
|
September 18, 2024
Machine learning the electric field response of condensed phase systems using perturbed neural network potentials
Kit Joll, Philipp Schienbein, Kevin M Rosso, et al.
Journal of the Royal Society, Interface
|
November 21, 2014
Multi-haem cytochromes in Shewanella oneidensis MR-1: structures, functions and opportunities
Marian Breuer, Kevin M Rosso, Jochen Blumberger, et al.
Page
of 12