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The Journal of Chemical Physics
|
October 23, 2020
Confirming the role of nuclear tunneling in aqueous ferrous-ferric electron transfer
Joseph E Lawrence, David E Manolopoulos
The Journal of Chemical Physics
|
April 22, 2019
Radical pair intersystem crossing: Quantum dynamics or incoherent kinetics?
Thomas P Fay, David E Manolopoulos
The Journal of Chemical Physics
|
September 7, 2023
A multi-state mapping approach to surface hopping
Johan E Runeson, David E Manolopoulos
The Journal of Chemical Physics
|
August 6, 2005
A refined ring polymer molecular dynamics theory of chemical reaction rates
Ian R Craig, David E Manolopoulos
The Journal of Chemical Physics
|
July 16, 2008
An efficient ring polymer contraction scheme for imaginary time path integral simulations
Thomas E Markland, David E Manolopoulos
The Journal of Physical Chemistry Letters
|
July 22, 2016
Nuclear Quantum Effects in H(+) and OH(-) Diffusion along Confined Water Wires
Mariana Rossi, Michele Ceriotti, David E Manolopoulos
The Journal of Chemical Physics
|
June 23, 2014
How to remove the spurious resonances from ring polymer molecular dynamics
Mariana Rossi, Michele Ceriotti, David E Manolopoulos
The Journal of Chemical Physics
|
March 3, 2011
Accelerating the convergence of path integral dynamics with a generalized Langevin equation
Michele Ceriotti, David E Manolopoulos, Michele Parrinello
The Journal of Chemical Physics
|
July 17, 2009
Competing quantum effects in the dynamics of a flexible water model
Scott Habershon, Thomas E Markland, David E Manolopoulos
The Journal of Chemical Physics
|
December 3, 2008
Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid water
Scott Habershon, George S Fanourgakis, David E Manolopoulos
Page
of 9
Search research articles
Search
Showing results (21-30 of 82) with videos related to
Sort By:
Page
of 9
The Journal of Chemical Physics
|
October 23, 2020
Confirming the role of nuclear tunneling in aqueous ferrous-ferric electron transfer
Joseph E Lawrence, David E Manolopoulos
The Journal of Chemical Physics
|
April 22, 2019
Radical pair intersystem crossing: Quantum dynamics or incoherent kinetics?
Thomas P Fay, David E Manolopoulos
The Journal of Chemical Physics
|
September 7, 2023
A multi-state mapping approach to surface hopping
Johan E Runeson, David E Manolopoulos
The Journal of Chemical Physics
|
August 6, 2005
A refined ring polymer molecular dynamics theory of chemical reaction rates
Ian R Craig, David E Manolopoulos
The Journal of Chemical Physics
|
July 16, 2008
An efficient ring polymer contraction scheme for imaginary time path integral simulations
Thomas E Markland, David E Manolopoulos
The Journal of Physical Chemistry Letters
|
July 22, 2016
Nuclear Quantum Effects in H(+) and OH(-) Diffusion along Confined Water Wires
Mariana Rossi, Michele Ceriotti, David E Manolopoulos
The Journal of Chemical Physics
|
June 23, 2014
How to remove the spurious resonances from ring polymer molecular dynamics
Mariana Rossi, Michele Ceriotti, David E Manolopoulos
The Journal of Chemical Physics
|
March 3, 2011
Accelerating the convergence of path integral dynamics with a generalized Langevin equation
Michele Ceriotti, David E Manolopoulos, Michele Parrinello
The Journal of Chemical Physics
|
July 17, 2009
Competing quantum effects in the dynamics of a flexible water model
Scott Habershon, Thomas E Markland, David E Manolopoulos
The Journal of Chemical Physics
|
December 3, 2008
Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid water
Scott Habershon, George S Fanourgakis, David E Manolopoulos
Page
of 9