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Journal of Chemical Theory and Computation
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June 27, 2022
Performance of Dispersion-Inclusive Density Functional Theory Methods for Energetic Materials
Dana O'Connor, Imanuel Bier, Yun-Ting Hsieh, et al.
The Journal of Chemical Physics
|
May 2, 2008
Electronic structure of copper phthalocyanine: a comparative density functional theory study
Noa Marom, Oded Hod, Gustavo E Scuseria, et al.
Physical Review Letters
|
September 26, 2012
Theoretical design of a shallow donor in diamond by lithium-nitrogen codoping
Jonathan E Moussa, Noa Marom, Na Sai, et al.
The Journal of Chemical Physics
|
May 17, 2018
On the possibility of singlet fission in crystalline quaterrylene
Xiaopeng Wang, Xingyu Liu, Cameron Cook, et al.
The Journal of Chemical Physics
|
February 2, 2015
A first-principles study of the electronic and structural properties of Sb and F doped SnO2 nanocrystals
Minjung Kim, Noa Marom, N Scott Bobbitt, et al.
The Journal of Chemical Physics
|
July 23, 2021
Structure prediction of epitaxial inorganic interfaces by lattice and surface matching with Ogre
Saeed Moayedpour, Derek Dardzinski, Shuyang Yang, et al.
The Journal of Physical Chemistry Letters
|
August 18, 2015
Size Effects in the Interface Level Alignment of Dye-Sensitized TiO2 Clusters
Noa Marom, Thomas Körzdörfer, Xinguo Ren, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 10, 2020
Pyrene-stabilized acenes as intermolecular singlet fission candidates: importance of exciton wave-function convergence
Xingyu Liu, Rithwik Tom, Xiaopeng Wang, et al.
Journal of Chemical Theory and Computation
|
August 8, 2017
Accurate Valence Ionization Energies from Kohn-Sham Eigenvalues with the Help of Potential Adjustors
Adrian Thierbach, Christian Neiss, Lukas Gallandi, et al.
The Journal of Chemical Physics
|
September 8, 2014
Real space pseudopotential calculations for size trends in Ga- and Al-doped zinc oxide nanocrystals with wurtzite and zincblende structures
N Scott Bobbitt, Na Sai, Noa Marom, et al.
Page
of 5
Search research articles
Search
Showing results (11-20 of 49) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
June 27, 2022
Performance of Dispersion-Inclusive Density Functional Theory Methods for Energetic Materials
Dana O'Connor, Imanuel Bier, Yun-Ting Hsieh, et al.
The Journal of Chemical Physics
|
May 2, 2008
Electronic structure of copper phthalocyanine: a comparative density functional theory study
Noa Marom, Oded Hod, Gustavo E Scuseria, et al.
Physical Review Letters
|
September 26, 2012
Theoretical design of a shallow donor in diamond by lithium-nitrogen codoping
Jonathan E Moussa, Noa Marom, Na Sai, et al.
The Journal of Chemical Physics
|
May 17, 2018
On the possibility of singlet fission in crystalline quaterrylene
Xiaopeng Wang, Xingyu Liu, Cameron Cook, et al.
The Journal of Chemical Physics
|
February 2, 2015
A first-principles study of the electronic and structural properties of Sb and F doped SnO2 nanocrystals
Minjung Kim, Noa Marom, N Scott Bobbitt, et al.
The Journal of Chemical Physics
|
July 23, 2021
Structure prediction of epitaxial inorganic interfaces by lattice and surface matching with Ogre
Saeed Moayedpour, Derek Dardzinski, Shuyang Yang, et al.
The Journal of Physical Chemistry Letters
|
August 18, 2015
Size Effects in the Interface Level Alignment of Dye-Sensitized TiO2 Clusters
Noa Marom, Thomas Körzdörfer, Xinguo Ren, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 10, 2020
Pyrene-stabilized acenes as intermolecular singlet fission candidates: importance of exciton wave-function convergence
Xingyu Liu, Rithwik Tom, Xiaopeng Wang, et al.
Journal of Chemical Theory and Computation
|
August 8, 2017
Accurate Valence Ionization Energies from Kohn-Sham Eigenvalues with the Help of Potential Adjustors
Adrian Thierbach, Christian Neiss, Lukas Gallandi, et al.
The Journal of Chemical Physics
|
September 8, 2014
Real space pseudopotential calculations for size trends in Ga- and Al-doped zinc oxide nanocrystals with wurtzite and zincblende structures
N Scott Bobbitt, Na Sai, Noa Marom, et al.
Page
of 5