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Physical Chemistry Chemical Physics : PCCP
|
March 16, 2021
Data-driven analysis of the electronic-structure factors controlling the work functions of perovskite oxides
Yihuang Xiong, Weinan Chen, Wenbo Guo, et al.
Physical Review Letters
|
May 9, 2015
First-principles photoemission spectroscopy and orbital tomography in molecules from koopmans-compliant functionals
Ngoc Linh Nguyen, Giovanni Borghi, Andrea Ferretti, et al.
Physical Review Letters
|
July 12, 2024
Phase-Field Model of Electronic Antidoping
Yin Shi, Guo-Dong Zhao, Ismaila Dabo, et al.
Inorganic Chemistry
|
August 18, 2020
Phase-Selective Solution Synthesis of Perovskite-Related Cesium Cadmium Chloride Nanoparticles
Cameron F Holder, Julian Fanghanel, Yihuang Xiong, et al.
Journal of the American Chemical Society
|
March 15, 2023
Band Gap Narrowing in a High-Entropy Spinel Oxide Semiconductor for Enhanced Oxygen Evolution Catalysis
Rowan R Katzbaer, Francisco Marques Dos Santos Vieira, Ismaila Dabo, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 23, 2012
Donor and acceptor levels of organic photovoltaic compounds from first principles
Ismaila Dabo, Andrea Ferretti, Cheol-Hwan Park, et al.
Journal of Hazardous Materials
|
December 18, 2019
Spectroscopic and first-principles investigations of iodine species incorporation into ettringite: Implications for iodine migration in cement waste forms
Binglin Guo, Yihuang Xiong, Weinan Chen, et al.
Acta Crystallographica. Section A, Foundations and Advances
|
July 7, 2018
Spatio-temporal symmetry - crystallographic point groups with time translations and time inversion
Vincent S Liu, Brian K VanLeeuwen, Jason M Munro, et al.
Journal of Chemical Theory and Computation
|
August 23, 2023
koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals
Edward B Linscott, Nicola Colonna, Riccardo De Gennaro, et al.
The Journal of Chemical Physics
|
December 9, 2021
Using C-DFT to develop an e-ReaxFF force field for acetophenone radical anion
Katheryn A Penrod, Maximiliano Aldo Burgess, Dooman Akbarian, et al.
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of 4
Search research articles
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Showing results (11-20 of 37) with videos related to
Sort By:
Page
of 4
Physical Chemistry Chemical Physics : PCCP
|
March 16, 2021
Data-driven analysis of the electronic-structure factors controlling the work functions of perovskite oxides
Yihuang Xiong, Weinan Chen, Wenbo Guo, et al.
Physical Review Letters
|
May 9, 2015
First-principles photoemission spectroscopy and orbital tomography in molecules from koopmans-compliant functionals
Ngoc Linh Nguyen, Giovanni Borghi, Andrea Ferretti, et al.
Physical Review Letters
|
July 12, 2024
Phase-Field Model of Electronic Antidoping
Yin Shi, Guo-Dong Zhao, Ismaila Dabo, et al.
Inorganic Chemistry
|
August 18, 2020
Phase-Selective Solution Synthesis of Perovskite-Related Cesium Cadmium Chloride Nanoparticles
Cameron F Holder, Julian Fanghanel, Yihuang Xiong, et al.
Journal of the American Chemical Society
|
March 15, 2023
Band Gap Narrowing in a High-Entropy Spinel Oxide Semiconductor for Enhanced Oxygen Evolution Catalysis
Rowan R Katzbaer, Francisco Marques Dos Santos Vieira, Ismaila Dabo, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 23, 2012
Donor and acceptor levels of organic photovoltaic compounds from first principles
Ismaila Dabo, Andrea Ferretti, Cheol-Hwan Park, et al.
Journal of Hazardous Materials
|
December 18, 2019
Spectroscopic and first-principles investigations of iodine species incorporation into ettringite: Implications for iodine migration in cement waste forms
Binglin Guo, Yihuang Xiong, Weinan Chen, et al.
Acta Crystallographica. Section A, Foundations and Advances
|
July 7, 2018
Spatio-temporal symmetry - crystallographic point groups with time translations and time inversion
Vincent S Liu, Brian K VanLeeuwen, Jason M Munro, et al.
Journal of Chemical Theory and Computation
|
August 23, 2023
koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals
Edward B Linscott, Nicola Colonna, Riccardo De Gennaro, et al.
The Journal of Chemical Physics
|
December 9, 2021
Using C-DFT to develop an e-ReaxFF force field for acetophenone radical anion
Katheryn A Penrod, Maximiliano Aldo Burgess, Dooman Akbarian, et al.
Page
of 4