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Journal of Chemical Theory and Computation
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November 25, 2015
Silicon Nanocrystal Functionalization: Analytic Fitting of DFTB Parameters
Fabio Trani, Vincenzo Barone
Journal of Computational Chemistry
|
March 9, 2018
Real-space grid representation of momentum and kinetic energy operators for electronic structure calculations
Domenico Ninno, Giovanni Cantele, Fabio Trani
Physical Review Letters
|
May 21, 2010
Effects of electronic and lattice polarization on the band structure of delafossite transparent conductive oxides
Julien Vidal, Fabio Trani, Fabien Bruneval, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Time-Dependent Density Functional Tight Binding: New Formulation and Benchmark of Excited States
Fabio Trani, Giovanni Scalmani, Guishan Zheng, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 25, 2015
Silicon Nanocrystal Functionalization: Analytic Fitting of DFTB Parameters
Fabio Trani, Vincenzo Barone
Journal of Computational Chemistry
|
March 9, 2018
Real-space grid representation of momentum and kinetic energy operators for electronic structure calculations
Domenico Ninno, Giovanni Cantele, Fabio Trani
Physical Review Letters
|
May 21, 2010
Effects of electronic and lattice polarization on the band structure of delafossite transparent conductive oxides
Julien Vidal, Fabio Trani, Fabien Bruneval, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Time-Dependent Density Functional Tight Binding: New Formulation and Benchmark of Excited States
Fabio Trani, Giovanni Scalmani, Guishan Zheng, et al.
Page
of 1