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Ralph Gebauer

Showing results (1-10 of 38) with videos related to

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The Journal of Chemical Physics|March 18, 2010
Computational approaches to charge transfer excitations in a zinc tetraphenylporphyrin and C70 complexPrasenjit Ghosh, Ralph Gebauer
Physical Chemistry Chemical Physics : PCCP|December 13, 2016
Hydrogen divacancy diffusion: a new perspective on H migration in MgH<sub>2</sub> materials for energy storageEstefania German, Ralph Gebauer
Molecules (Basel, Switzerland)|July 14, 2023
The Oxygen Evolution Reaction at MoS<sub>2</sub> Edge Sites: The Role of a Solvent Environment in DFT-Based Molecular SimulationsEstefania German, Ralph Gebauer
The Journal of Chemical Physics|November 6, 2007
Ultrasoft pseudopotentials in time-dependent density-functional theoryBrent Walker, Ralph Gebauer
Physical Review Letters|November 5, 2004
Current in open quantum systemsRalph Gebauer, Roberto Car
Physical Review Letters|May 21, 2005
Density functional theory of the electrical conductivity of molecular devicesKieron Burke, Roberto Car, Ralph Gebauer
Physical Chemistry Chemical Physics : PCCP|May 14, 2020
DFT insights into electrocatalytic CO<sub>2</sub> reduction to methanol on α-Fe<sub>2</sub>O<sub>3</sub>(0001) surfacesNandha Kumar, Nicola Seriani, Ralph Gebauer
Physical Chemistry Chemical Physics : PCCP|December 9, 2014
Nitrogen electrochemically reduced to ammonia with hematite: density-functional insightsManh-Thuong Nguyen, Nicola Seriani, Ralph Gebauer
The Journal of Chemical Physics|May 24, 2013
Water adsorption and dissociation on α-Fe2O3(0001): PBE+U calculationsManh-Thuong Nguyen, Nicola Seriani, Ralph Gebauer
Proceedings of the National Academy of Sciences of the United States of America|November 3, 2016
A well-scaling natural orbital theoryRalph Gebauer, Morrel H Cohen, Roberto Car
Pageof 4

Showing results (1-10 of 38) with videos related to

Sort By:
Pageof 4
The Journal of Chemical Physics|March 18, 2010
Computational approaches to charge transfer excitations in a zinc tetraphenylporphyrin and C70 complexPrasenjit Ghosh, Ralph Gebauer
Physical Chemistry Chemical Physics : PCCP|December 13, 2016
Hydrogen divacancy diffusion: a new perspective on H migration in MgH<sub>2</sub> materials for energy storageEstefania German, Ralph Gebauer
Molecules (Basel, Switzerland)|July 14, 2023
The Oxygen Evolution Reaction at MoS<sub>2</sub> Edge Sites: The Role of a Solvent Environment in DFT-Based Molecular SimulationsEstefania German, Ralph Gebauer
The Journal of Chemical Physics|November 6, 2007
Ultrasoft pseudopotentials in time-dependent density-functional theoryBrent Walker, Ralph Gebauer
Physical Review Letters|November 5, 2004
Current in open quantum systemsRalph Gebauer, Roberto Car
Physical Review Letters|May 21, 2005
Density functional theory of the electrical conductivity of molecular devicesKieron Burke, Roberto Car, Ralph Gebauer
Physical Chemistry Chemical Physics : PCCP|May 14, 2020
DFT insights into electrocatalytic CO<sub>2</sub> reduction to methanol on α-Fe<sub>2</sub>O<sub>3</sub>(0001) surfacesNandha Kumar, Nicola Seriani, Ralph Gebauer
Physical Chemistry Chemical Physics : PCCP|December 9, 2014
Nitrogen electrochemically reduced to ammonia with hematite: density-functional insightsManh-Thuong Nguyen, Nicola Seriani, Ralph Gebauer
The Journal of Chemical Physics|May 24, 2013
Water adsorption and dissociation on α-Fe2O3(0001): PBE+U calculationsManh-Thuong Nguyen, Nicola Seriani, Ralph Gebauer
Proceedings of the National Academy of Sciences of the United States of America|November 3, 2016
A well-scaling natural orbital theoryRalph Gebauer, Morrel H Cohen, Roberto Car
Pageof 4