Search research articles
Contact Us
Filters
Showing results (11-20 of 38) with videos related to
Page
of 4
Sort By:
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 22, 2014
Defective α-Fe2O3(0001): an ab initio study
Manh-Thuong Nguyen, Nicola Seriani, Ralph Gebauer
The Journal of Chemical Physics
|
July 24, 2015
On the electronic, structural, and thermodynamic properties of Au supported on α-Fe2O3 surfaces and their interaction with CO
Manh-Thuong Nguyen, Matteo Farnesi Camellone, Ralph Gebauer
The Journal of Chemical Physics
|
December 3, 2016
Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine
Subrahmanyam Sappati, Ali Hassanali, Ralph Gebauer, et al.
RSC Advances
|
May 6, 2022
Heterostructures of ε-Fe<sub>2</sub>O<sub>3</sub> and α-Fe<sub>2</sub>O<sub>3</sub>: insights from density functional theory
Imran Ahamed, Nicola Seriani, Ralph Gebauer, et al.
The Journal of Chemical Physics
|
October 23, 2012
Optical properties of an organic dye from time-dependent density functional theory with explicit solvent: the case of alizarin
Dick Hartmann Douma, Bernard M'Passi-Mabiala, Ralph Gebauer
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
October 9, 2002
Density functional theory of solvation in a polar solvent: extracting the functional from homogeneous solvent simulations
Rosa Ramirez, Ralph Gebauer, Michel Mareschal, et al.
The Journal of Chemical Physics
|
April 25, 2008
Turbo charging time-dependent density-functional theory with Lanczos chains
Dario Rocca, Ralph Gebauer, Yousef Saad, et al.
Physical Review Letters
|
April 12, 2006
Efficient approach to time-dependent density-functional perturbation theory for optical spectroscopy
Brent Walker, A Marco Saitta, Ralph Gebauer, et al.
The Journal of Chemical Physics
|
February 18, 2014
Photo-driven oxidation of water on α-Fe2O3 surfaces: an ab initio study
Manh-Thuong Nguyen, Nicola Seriani, Simone Piccinin, et al.
The Journal of Chemical Physics
|
March 10, 2016
Passivation of surface states of α-Fe2O3(0001) surface by deposition of Ga2O3 overlayers: A density functional theory study
Kanchan Ulman, Manh-Thuong Nguyen, Nicola Seriani, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 38) with videos related to
Sort By:
Page
of 4
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 22, 2014
Defective α-Fe2O3(0001): an ab initio study
Manh-Thuong Nguyen, Nicola Seriani, Ralph Gebauer
The Journal of Chemical Physics
|
July 24, 2015
On the electronic, structural, and thermodynamic properties of Au supported on α-Fe2O3 surfaces and their interaction with CO
Manh-Thuong Nguyen, Matteo Farnesi Camellone, Ralph Gebauer
The Journal of Chemical Physics
|
December 3, 2016
Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine
Subrahmanyam Sappati, Ali Hassanali, Ralph Gebauer, et al.
RSC Advances
|
May 6, 2022
Heterostructures of ε-Fe<sub>2</sub>O<sub>3</sub> and α-Fe<sub>2</sub>O<sub>3</sub>: insights from density functional theory
Imran Ahamed, Nicola Seriani, Ralph Gebauer, et al.
The Journal of Chemical Physics
|
October 23, 2012
Optical properties of an organic dye from time-dependent density functional theory with explicit solvent: the case of alizarin
Dick Hartmann Douma, Bernard M'Passi-Mabiala, Ralph Gebauer
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
October 9, 2002
Density functional theory of solvation in a polar solvent: extracting the functional from homogeneous solvent simulations
Rosa Ramirez, Ralph Gebauer, Michel Mareschal, et al.
The Journal of Chemical Physics
|
April 25, 2008
Turbo charging time-dependent density-functional theory with Lanczos chains
Dario Rocca, Ralph Gebauer, Yousef Saad, et al.
Physical Review Letters
|
April 12, 2006
Efficient approach to time-dependent density-functional perturbation theory for optical spectroscopy
Brent Walker, A Marco Saitta, Ralph Gebauer, et al.
The Journal of Chemical Physics
|
February 18, 2014
Photo-driven oxidation of water on α-Fe2O3 surfaces: an ab initio study
Manh-Thuong Nguyen, Nicola Seriani, Simone Piccinin, et al.
The Journal of Chemical Physics
|
March 10, 2016
Passivation of surface states of α-Fe2O3(0001) surface by deposition of Ga2O3 overlayers: A density functional theory study
Kanchan Ulman, Manh-Thuong Nguyen, Nicola Seriani, et al.
Page
of 4