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Journal of Chemical Theory and Computation
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November 18, 2015
Optimized Exchange and Correlation Semilocal Functional for the Calculation of Energies of Formation
Rafael Sarmiento-Pérez, Silvana Botti, Miguel A L Marques
Physical Chemistry Chemical Physics : PCCP
|
July 26, 2011
Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations
Micael J T Oliveira, Silvana Botti, Miguel A L Marques
Physical Review Letters
|
October 15, 2013
Conducting boron sheets formed by the reconstruction of the α-boron (111) surface
Maximilian Amsler, Silvana Botti, Miguel A L Marques, et al.
Journal of Chemical Theory and Computation
|
December 3, 2024
Assessing Exchange-Correlation Functionals for Accurate Densities of Solids
Ayoub Aouina, Pedro Borlido, Miguel A L Marques, et al.
The Journal of Chemical Physics
|
July 2, 2018
Predicting the stability of ternary intermetallics with density functional theory and machine learning
Jonathan Schmidt, Liming Chen, Silvana Botti, et al.
The Journal of Chemical Physics
|
May 19, 2007
Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities
Xavier Andrade, Silvana Botti, Miguel A L Marques, et al.
Physical Review Letters
|
October 13, 2023
Dynamical Franz-Keldysh Effect in Diamond in the Deep Ultraviolet Probed by Transient Absorption and Dispersion Spectroscopy Using a Miniature Beamline
Jan Reislöhner, Xiao Chen, Doyeong Kim, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2020
Novel two-dimensional silicon-carbon binaries by crystal structure prediction
Pedro Borlido, Ahmad W Huran, Miguel A L Marques, et al.
Physical Review Letters
|
November 22, 2002
Ab Initio calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices
Silvana Botti, Nathalie Vast, Lucia Reining, et al.
Physical Review Letters
|
April 7, 2010
Strong interplay between structure and electronic properties in CuIn(S,Se){2}: a first-principles study
Julien Vidal, Silvana Botti, Pär Olsson, et al.
Page
of 7
Search research articles
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Showing results (11-20 of 63) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
November 18, 2015
Optimized Exchange and Correlation Semilocal Functional for the Calculation of Energies of Formation
Rafael Sarmiento-Pérez, Silvana Botti, Miguel A L Marques
Physical Chemistry Chemical Physics : PCCP
|
July 26, 2011
Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations
Micael J T Oliveira, Silvana Botti, Miguel A L Marques
Physical Review Letters
|
October 15, 2013
Conducting boron sheets formed by the reconstruction of the α-boron (111) surface
Maximilian Amsler, Silvana Botti, Miguel A L Marques, et al.
Journal of Chemical Theory and Computation
|
December 3, 2024
Assessing Exchange-Correlation Functionals for Accurate Densities of Solids
Ayoub Aouina, Pedro Borlido, Miguel A L Marques, et al.
The Journal of Chemical Physics
|
July 2, 2018
Predicting the stability of ternary intermetallics with density functional theory and machine learning
Jonathan Schmidt, Liming Chen, Silvana Botti, et al.
The Journal of Chemical Physics
|
May 19, 2007
Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities
Xavier Andrade, Silvana Botti, Miguel A L Marques, et al.
Physical Review Letters
|
October 13, 2023
Dynamical Franz-Keldysh Effect in Diamond in the Deep Ultraviolet Probed by Transient Absorption and Dispersion Spectroscopy Using a Miniature Beamline
Jan Reislöhner, Xiao Chen, Doyeong Kim, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2020
Novel two-dimensional silicon-carbon binaries by crystal structure prediction
Pedro Borlido, Ahmad W Huran, Miguel A L Marques, et al.
Physical Review Letters
|
November 22, 2002
Ab Initio calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices
Silvana Botti, Nathalie Vast, Lucia Reining, et al.
Physical Review Letters
|
April 7, 2010
Strong interplay between structure and electronic properties in CuIn(S,Se){2}: a first-principles study
Julien Vidal, Silvana Botti, Pär Olsson, et al.
Page
of 7