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Journal of Chemical Information and Modeling
|
January 15, 2020
PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials
Yunqi Shao, Matti Hellström, Pavlin D Mitev, et al.
The Journal of Chemical Physics
|
February 17, 2017
Comparing van der Waals DFT methods for water on NaCl(001) and MgO(001)
Getachew G Kebede, Daniel Spångberg, Pavlin D Mitev, et al.
The Journal of Chemical Physics
|
July 2, 2018
Maximally resolved anharmonic OH vibrational spectrum of the water/ZnO(101¯0) interface from a high-dimensional neural network potential
Vanessa Quaranta, Matti Hellström, Jörg Behler, et al.
The Journal of Chemical Physics
|
February 22, 2013
Different structures give similar vibrational spectra: the case of OH- in aqueous solution
Pavlin D Mitev, Philippe A Bopp, Jasmina Petreska, et al.
Chemical Physics Letters
|
December 26, 2014
A gold cyano complex in nitromethane: MD simulation and X-ray diffraction
Michael Probst, Natcha Injan, Tünde Megyes, et al.
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of 2
Search research articles
Search
Showing results (11-20 of 15) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 15 results.
Journal of Chemical Information and Modeling
|
January 15, 2020
PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials
Yunqi Shao, Matti Hellström, Pavlin D Mitev, et al.
The Journal of Chemical Physics
|
February 17, 2017
Comparing van der Waals DFT methods for water on NaCl(001) and MgO(001)
Getachew G Kebede, Daniel Spångberg, Pavlin D Mitev, et al.
The Journal of Chemical Physics
|
July 2, 2018
Maximally resolved anharmonic OH vibrational spectrum of the water/ZnO(101¯0) interface from a high-dimensional neural network potential
Vanessa Quaranta, Matti Hellström, Jörg Behler, et al.
The Journal of Chemical Physics
|
February 22, 2013
Different structures give similar vibrational spectra: the case of OH- in aqueous solution
Pavlin D Mitev, Philippe A Bopp, Jasmina Petreska, et al.
Chemical Physics Letters
|
December 26, 2014
A gold cyano complex in nitromethane: MD simulation and X-ray diffraction
Michael Probst, Natcha Injan, Tünde Megyes, et al.
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of 2