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Journal of Chemical Theory and Computation
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December 20, 2024
Efficient Polarizable QM/MM Using the Direct Reaction Field Hamiltonian with Electrostatic Potential Fitted Multipole Operators
Thomas P Fay, Nicolas Ferré, Miquel Huix-Rotllant
The Journal of Chemical Physics
|
May 3, 2020
Quantum mechanical spin dynamics of a molecular magnetoreceptor
Lachlan P Lindoy, Thomas P Fay, David E Manolopoulos
The Journal of Chemical Physics
|
August 17, 2018
Spin-selective electron transfer reactions of radical pairs: Beyond the Haberkorn master equation
Thomas P Fay, Lachlan P Lindoy, David E Manolopoulos
The Journal of Chemical Physics
|
February 28, 2021
Spin relaxation in radical pairs from the stochastic Schrödinger equation
Thomas P Fay, Lachlan P Lindoy, David E Manolopoulos
The Journal of Chemical Physics
|
October 24, 2019
Electron spin relaxation in radical pairs: Beyond the Redfield approximation
Thomas P Fay, Lachlan P Lindoy, David E Manolopoulos
Physical Chemistry Chemical Physics : PCCP
|
July 17, 2025
Correction: Exciton dynamics from the mapping approach to surface hopping: comparison with Förster and Redfield theories
Johan E Runeson, Thomas P Fay, David E Manolopoulos
Physical Chemistry Chemical Physics : PCCP
|
January 24, 2024
Exciton dynamics from the mapping approach to surface hopping: comparison with Förster and Redfield theories
Johan E Runeson, Thomas P Fay, David E Manolopoulos
The Journal of Chemical Physics
|
May 12, 2026
Solvent effects on triplet yields in BODIPY-based photosensitizers
Leonardo Coello Escalante, Thomas P Fay, David T Limmer
The Journal of Chemical Physics
|
December 25, 2016
An efficient quantum mechanical method for radical pair recombination reactions
Alan M Lewis, Thomas P Fay, David E Manolopoulos
The Journal of Chemical Physics
|
August 17, 2017
Spin-dependent charge recombination along para-phenylene molecular wires
Thomas P Fay, Alan M Lewis, David E Manolopoulos
Page
of 3
Search research articles
Search
Showing results (11-20 of 28) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
December 20, 2024
Efficient Polarizable QM/MM Using the Direct Reaction Field Hamiltonian with Electrostatic Potential Fitted Multipole Operators
Thomas P Fay, Nicolas Ferré, Miquel Huix-Rotllant
The Journal of Chemical Physics
|
May 3, 2020
Quantum mechanical spin dynamics of a molecular magnetoreceptor
Lachlan P Lindoy, Thomas P Fay, David E Manolopoulos
The Journal of Chemical Physics
|
August 17, 2018
Spin-selective electron transfer reactions of radical pairs: Beyond the Haberkorn master equation
Thomas P Fay, Lachlan P Lindoy, David E Manolopoulos
The Journal of Chemical Physics
|
February 28, 2021
Spin relaxation in radical pairs from the stochastic Schrödinger equation
Thomas P Fay, Lachlan P Lindoy, David E Manolopoulos
The Journal of Chemical Physics
|
October 24, 2019
Electron spin relaxation in radical pairs: Beyond the Redfield approximation
Thomas P Fay, Lachlan P Lindoy, David E Manolopoulos
Physical Chemistry Chemical Physics : PCCP
|
July 17, 2025
Correction: Exciton dynamics from the mapping approach to surface hopping: comparison with Förster and Redfield theories
Johan E Runeson, Thomas P Fay, David E Manolopoulos
Physical Chemistry Chemical Physics : PCCP
|
January 24, 2024
Exciton dynamics from the mapping approach to surface hopping: comparison with Förster and Redfield theories
Johan E Runeson, Thomas P Fay, David E Manolopoulos
The Journal of Chemical Physics
|
May 12, 2026
Solvent effects on triplet yields in BODIPY-based photosensitizers
Leonardo Coello Escalante, Thomas P Fay, David T Limmer
The Journal of Chemical Physics
|
December 25, 2016
An efficient quantum mechanical method for radical pair recombination reactions
Alan M Lewis, Thomas P Fay, David E Manolopoulos
The Journal of Chemical Physics
|
August 17, 2017
Spin-dependent charge recombination along para-phenylene molecular wires
Thomas P Fay, Alan M Lewis, David E Manolopoulos
Page
of 3