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Physical Review Letters
|
October 4, 2003
Chemically active substitutional nitrogen impurity in carbon nanotubes
Andriy H Nevidomskyy, Gábor Csányi, Michael C Payne
Inorganic Chemistry
|
October 19, 2016
Modeling Pair Distribution Functions of Rare-Earth Phosphate Glasses Using Principal Component Analysis
Jacqueline M Cole, Xie Cheng, Michael C Payne
The Journal of Chemical Physics
|
November 3, 2014
Does water dope carbon nanotubes?
Robert A Bell, Michael C Payne, Arash A Mostofi
Journal of Chemical Theory and Computation
|
November 22, 2017
Harmonic Force Constants for Molecular Mechanics Force Fields via Hessian Matrix Projection
Alice E A Allen, Michael C Payne, Daniel J Cole
The Journal of Physical Chemistry. B
|
July 21, 2006
New insights into the origin of visible light photocatalytic activity of nitrogen-doped and oxygen-deficient anatase TiO2
Zheshuai Lin, Alexander Orlov, Richard M Lambert, et al.
The Journal of Physical Chemistry. B
|
April 27, 2019
Large-Scale Study of Hydration Environments through Hydration Sites
Benedict W J Irwin, Sinisa Vukovic, Michael C Payne, et al.
ACS Nano
|
May 7, 2013
Spin filtering and magneto-resistive effect at the graphene/h-BN ribbon interface
Simon Mutien-Marie Dubois, Xavier Declerck, J-C Charlier, et al.
ACS Omega
|
September 19, 2019
Development and Validation of the Quantum Mechanical Bespoke Protein Force Field
Alice E A Allen, Michael J Robertson, Michael C Payne, et al.
Journal of Chemical Theory and Computation
|
July 15, 2021
Modeling Molecular Emitters in Organic Light-Emitting Diodes with the Quantum Mechanical Bespoke Force Field
Lupeng Yang, Joshua T Horton, Michael C Payne, et al.
Journal of Chemical Theory and Computation
|
May 21, 2020
ONETEP + TOSCAM: Uniting Dynamical Mean Field Theory and Linear-Scaling Density Functional Theory
Edward B Linscott, Daniel J Cole, Nicholas D M Hine, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Physical Review Letters
|
October 4, 2003
Chemically active substitutional nitrogen impurity in carbon nanotubes
Andriy H Nevidomskyy, Gábor Csányi, Michael C Payne
Inorganic Chemistry
|
October 19, 2016
Modeling Pair Distribution Functions of Rare-Earth Phosphate Glasses Using Principal Component Analysis
Jacqueline M Cole, Xie Cheng, Michael C Payne
The Journal of Chemical Physics
|
November 3, 2014
Does water dope carbon nanotubes?
Robert A Bell, Michael C Payne, Arash A Mostofi
Journal of Chemical Theory and Computation
|
November 22, 2017
Harmonic Force Constants for Molecular Mechanics Force Fields via Hessian Matrix Projection
Alice E A Allen, Michael C Payne, Daniel J Cole
The Journal of Physical Chemistry. B
|
July 21, 2006
New insights into the origin of visible light photocatalytic activity of nitrogen-doped and oxygen-deficient anatase TiO2
Zheshuai Lin, Alexander Orlov, Richard M Lambert, et al.
The Journal of Physical Chemistry. B
|
April 27, 2019
Large-Scale Study of Hydration Environments through Hydration Sites
Benedict W J Irwin, Sinisa Vukovic, Michael C Payne, et al.
ACS Nano
|
May 7, 2013
Spin filtering and magneto-resistive effect at the graphene/h-BN ribbon interface
Simon Mutien-Marie Dubois, Xavier Declerck, J-C Charlier, et al.
ACS Omega
|
September 19, 2019
Development and Validation of the Quantum Mechanical Bespoke Protein Force Field
Alice E A Allen, Michael J Robertson, Michael C Payne, et al.
Journal of Chemical Theory and Computation
|
July 15, 2021
Modeling Molecular Emitters in Organic Light-Emitting Diodes with the Quantum Mechanical Bespoke Force Field
Lupeng Yang, Joshua T Horton, Michael C Payne, et al.
Journal of Chemical Theory and Computation
|
May 21, 2020
ONETEP + TOSCAM: Uniting Dynamical Mean Field Theory and Linear-Scaling Density Functional Theory
Edward B Linscott, Daniel J Cole, Nicholas D M Hine, et al.
Page
of 2