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The Journal of Chemical Physics
|
April 9, 2022
A non-hierarchical correlation discrete variable representation
Roman Ellerbrock, Uwe Manthe
The Journal of Chemical Physics
|
January 1, 2018
Communication: Reactivity borrowing in the mode selective chemistry of H + CHD<sub>3</sub> → H<sub>2</sub> + CD<sub>3</sub>
Roman Ellerbrock, Uwe Manthe
The Journal of Chemical Physics
|
June 17, 2018
Full-dimensional quantum dynamics calculations for H + CHD<sub>3</sub> → H<sub>2</sub> + CD<sub>3</sub>: The effect of multiple vibrational excitations
Roman Ellerbrock, Uwe Manthe
The Journal of Chemical Physics
|
June 3, 2016
S-matrix decomposition, natural reaction channels, and the quantum transition state approach to reactive scattering
Uwe Manthe, Roman Ellerbrock
Faraday Discussions
|
September 19, 2018
Natural reaction channels in H + CHD
Roman Ellerbrock, Uwe Mantheuwe
The Journal of Chemical Physics
|
August 11, 2020
A multilayer multi-configurational approach to efficiently simulate large-scale circuit-based quantum computers on classical machines
Roman Ellerbrock, Todd J Martinez
The Journal of Chemical Physics
|
June 22, 2023
A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations
Roman Ellerbrock, Hannes Hoppe, Uwe Manthe
Science Advances
|
March 30, 2022
Vibrational control of the reaction pathway in the H + CHD<sub>3</sub> → H<sub>2</sub> + CD<sub>3</sub> reaction
Roman Ellerbrock, Bin Zhao, Uwe Manthe
The Journal of Physical Chemistry. A
|
July 31, 2019
A Quasi-Classical Evaluation of the <i>J</i>-Shifting Approximation for the Reactive Cross Sections of F + CHD<sub>3</sub> and F + CH<sub>4</sub>
Roman Ellerbrock, Uwe Manthe, Juliana Palma
The Journal of Chemical Physics
|
June 13, 2024
A non-hierarchical multi-layer multi-configurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces
Roman Ellerbrock, Hannes Hoppe, Uwe Manthe
Page
of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
April 9, 2022
A non-hierarchical correlation discrete variable representation
Roman Ellerbrock, Uwe Manthe
The Journal of Chemical Physics
|
January 1, 2018
Communication: Reactivity borrowing in the mode selective chemistry of H + CHD<sub>3</sub> → H<sub>2</sub> + CD<sub>3</sub>
Roman Ellerbrock, Uwe Manthe
The Journal of Chemical Physics
|
June 17, 2018
Full-dimensional quantum dynamics calculations for H + CHD<sub>3</sub> → H<sub>2</sub> + CD<sub>3</sub>: The effect of multiple vibrational excitations
Roman Ellerbrock, Uwe Manthe
The Journal of Chemical Physics
|
June 3, 2016
S-matrix decomposition, natural reaction channels, and the quantum transition state approach to reactive scattering
Uwe Manthe, Roman Ellerbrock
Faraday Discussions
|
September 19, 2018
Natural reaction channels in H + CHD
Roman Ellerbrock, Uwe Mantheuwe
The Journal of Chemical Physics
|
August 11, 2020
A multilayer multi-configurational approach to efficiently simulate large-scale circuit-based quantum computers on classical machines
Roman Ellerbrock, Todd J Martinez
The Journal of Chemical Physics
|
June 22, 2023
A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations
Roman Ellerbrock, Hannes Hoppe, Uwe Manthe
Science Advances
|
March 30, 2022
Vibrational control of the reaction pathway in the H + CHD<sub>3</sub> → H<sub>2</sub> + CD<sub>3</sub> reaction
Roman Ellerbrock, Bin Zhao, Uwe Manthe
The Journal of Physical Chemistry. A
|
July 31, 2019
A Quasi-Classical Evaluation of the <i>J</i>-Shifting Approximation for the Reactive Cross Sections of F + CHD<sub>3</sub> and F + CH<sub>4</sub>
Roman Ellerbrock, Uwe Manthe, Juliana Palma
The Journal of Chemical Physics
|
June 13, 2024
A non-hierarchical multi-layer multi-configurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces
Roman Ellerbrock, Hannes Hoppe, Uwe Manthe
Page
of 2