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Physical Chemistry Chemical Physics : PCCP
|
July 13, 2019
Structural and dynamical heterogeneities at glutamine-water interfaces
Muhammad Nawaz Qaisrani, Luca Grisanti, Ralph Gebauer, et al.
The Journal of Chemical Physics
|
June 10, 2018
Magnetoelectric ϵ-Fe<sub>2</sub>O<sub>3</sub>: DFT study of a potential candidate for electrode material in photoelectrochemical cells
Imran Ahamed, Kanchan Ulman, Nicola Seriani, et al.
The Journal of Chemical Physics
|
February 3, 2019
Understanding the electrochemical double layer at the hematite/water interface: A first principles molecular dynamics study
Kanchan Ulman, Emiliano Poli, Nicola Seriani, et al.
The Journal of Physical Chemistry Letters
|
August 13, 2025
Acid-Base Chemistry of Short Hydrogen Bonds: A Tale of Schrödinger's Cat in Glutamine-Derived Crystals
Muhammad Nawaz Qaisrani, Nandha Kumar, Christian Dreßler, et al.
Journal of the American Chemical Society
|
September 13, 2011
Dielectric and thermal effects on the optical properties of natural dyes: a case study on solvated cyanin
Osman Bariş Malcıoğlu, Arrigo Calzolari, Ralph Gebauer, et al.
Journal of Molecular Modeling
|
September 20, 2018
Characterization of peroxo reaction intermediates in the water oxidation process on hematite surfaces
Lodvert Tchibota Poaty, Kanchan Ulman, Nicola Seriani, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 24, 2017
A computational study on how structure influences the optical properties in model crystal structures of amyloid fibrils
Luca Grisanti, Dorothea Pinotsi, Ralph Gebauer, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 10, 2011
Harnessing molecular excited states with Lanczos chains
Stefano Baroni, Ralph Gebauer, O Bariş Malcioğlu, et al.
Angewandte Chemie (International Ed. in English)
|
July 9, 2024
Stabilization of Short- and Long-Range Magnetic Ordering through the Cooperative Effect of 1D [CuO<sub>4</sub>]<sub>∞</sub> Chains and [CuO<sub>2</sub>X<sub>2</sub>] Quadrilateral in Quasi-1D Spin-1/2 Systems
Ruixin Guo, Rutong Si, Zhaoyi Li, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 18, 2024
Biaxial compressive strain enhances calcium binding and mobility on two-dimensional Sc<sub>2</sub>C: a density functional theory investigation
Darwin B Putungan, Christian Loer T Llemit, Alexandra B Santos-Putungan, et al.
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Search research articles
Search
Showing results (21-30 of 38) with videos related to
Sort By:
Page
of 4
Physical Chemistry Chemical Physics : PCCP
|
July 13, 2019
Structural and dynamical heterogeneities at glutamine-water interfaces
Muhammad Nawaz Qaisrani, Luca Grisanti, Ralph Gebauer, et al.
The Journal of Chemical Physics
|
June 10, 2018
Magnetoelectric ϵ-Fe<sub>2</sub>O<sub>3</sub>: DFT study of a potential candidate for electrode material in photoelectrochemical cells
Imran Ahamed, Kanchan Ulman, Nicola Seriani, et al.
The Journal of Chemical Physics
|
February 3, 2019
Understanding the electrochemical double layer at the hematite/water interface: A first principles molecular dynamics study
Kanchan Ulman, Emiliano Poli, Nicola Seriani, et al.
The Journal of Physical Chemistry Letters
|
August 13, 2025
Acid-Base Chemistry of Short Hydrogen Bonds: A Tale of Schrödinger's Cat in Glutamine-Derived Crystals
Muhammad Nawaz Qaisrani, Nandha Kumar, Christian Dreßler, et al.
Journal of the American Chemical Society
|
September 13, 2011
Dielectric and thermal effects on the optical properties of natural dyes: a case study on solvated cyanin
Osman Bariş Malcıoğlu, Arrigo Calzolari, Ralph Gebauer, et al.
Journal of Molecular Modeling
|
September 20, 2018
Characterization of peroxo reaction intermediates in the water oxidation process on hematite surfaces
Lodvert Tchibota Poaty, Kanchan Ulman, Nicola Seriani, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 24, 2017
A computational study on how structure influences the optical properties in model crystal structures of amyloid fibrils
Luca Grisanti, Dorothea Pinotsi, Ralph Gebauer, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 10, 2011
Harnessing molecular excited states with Lanczos chains
Stefano Baroni, Ralph Gebauer, O Bariş Malcioğlu, et al.
Angewandte Chemie (International Ed. in English)
|
July 9, 2024
Stabilization of Short- and Long-Range Magnetic Ordering through the Cooperative Effect of 1D [CuO<sub>4</sub>]<sub>∞</sub> Chains and [CuO<sub>2</sub>X<sub>2</sub>] Quadrilateral in Quasi-1D Spin-1/2 Systems
Ruixin Guo, Rutong Si, Zhaoyi Li, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 18, 2024
Biaxial compressive strain enhances calcium binding and mobility on two-dimensional Sc<sub>2</sub>C: a density functional theory investigation
Darwin B Putungan, Christian Loer T Llemit, Alexandra B Santos-Putungan, et al.
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of 4