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Journal of Chemical Theory and Computation
|
September 30, 2021
Electronic Excitations in Crystalline Solids through the Maximum Overlap Method
Loredana Edith Daga, Lorenzo Maschio
Journal of Chemical Theory and Computation
|
March 28, 2020
Gaussian Basis Sets for Crystalline Solids: All-Purpose Basis Set Libraries vs System-Specific Optimizations
Loredana Edith Daga, Bartolomeo Civalleri, Lorenzo Maschio
Physical Chemistry Chemical Physics : PCCP
|
September 20, 2022
From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li<sub>6</sub>PS<sub>5</sub>Cl argyrodite superionic conductor
Maddalena D'Amore, Loredana Edith Daga, Riccardo Rocca, et al.
Nanotechnology
|
April 28, 2023
Experimental and computational study of the role of defects and secondary phases on the thermoelectric properties of TiNi<sub>1+</sub>Sn (0 ≤<i>x</i>≤ 0.12) half Heusler compounds
Eleonora Ascrizzi, Silvia Casassa, Loredana Edith Daga, et al.
Journal of Chemical Theory and Computation
|
December 11, 2022
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry
Alessandro Erba, Jacques K Desmarais, Silvia Casassa, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
September 30, 2021
Electronic Excitations in Crystalline Solids through the Maximum Overlap Method
Loredana Edith Daga, Lorenzo Maschio
Journal of Chemical Theory and Computation
|
March 28, 2020
Gaussian Basis Sets for Crystalline Solids: All-Purpose Basis Set Libraries vs System-Specific Optimizations
Loredana Edith Daga, Bartolomeo Civalleri, Lorenzo Maschio
Physical Chemistry Chemical Physics : PCCP
|
September 20, 2022
From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li<sub>6</sub>PS<sub>5</sub>Cl argyrodite superionic conductor
Maddalena D'Amore, Loredana Edith Daga, Riccardo Rocca, et al.
Nanotechnology
|
April 28, 2023
Experimental and computational study of the role of defects and secondary phases on the thermoelectric properties of TiNi<sub>1+</sub>Sn (0 ≤<i>x</i>≤ 0.12) half Heusler compounds
Eleonora Ascrizzi, Silvia Casassa, Loredana Edith Daga, et al.
Journal of Chemical Theory and Computation
|
December 11, 2022
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry
Alessandro Erba, Jacques K Desmarais, Silvia Casassa, et al.
Page
of 1