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Proceedings of the National Academy of Sciences of the United States of America
|
June 16, 2010
Surface residues dynamically organize water bridges to enhance electron transfer between proteins
Aurélien de la Lande, Nathan S Babcock, Jan Rezác, et al.
Chemical Communications (Cambridge, England)
|
May 10, 2018
Light-induced ATP driven self-assembly of actin and heavy-meromyosin in proteo-tubularsomes as a step toward artificial cells
Satarupa Dhir, Sumalee Salahub, Anu Stella Mathews, et al.
Journal of Chemical Theory and Computation
|
July 25, 2017
Simulating Electron Dynamics in Polarizable Environments
Xiaojing Wu, Jean-Marie Teuler, Fabien Cailliez, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 22, 2012
Quantum effects in biological electron transfer
Aurélien de la Lande, Nathan S Babcock, Jan Rezáč, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 21, 2025
Seeking metal-organic frameworks for hydrogen storage using classical and quantum active learning
Maicon Pierre Lourenço, Rishabh Shukla, Mosayeb Naseri, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 4, 2012
Contribution of high-energy conformations to NMR chemical shifts, a DFT-BOMD study
A Goursot, T Mineva, J M Vásquez-Pérez, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 13, 2023
Perovskenes: two-dimensional perovskite-type monolayer materials predicted by first-principles calculations
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 19, 2026
Exploring quantum active learning for materials design and discovery
Maicon Pierre Lourenço, Hadi Zadeh-Haghighi, Jiří Hostaš, et al.
The Journal of Physical Chemistry. B
|
September 27, 2008
Density functional theory-based conformational analysis of a phospholipid molecule (dimyristoyl phosphatidylcholine)
S Krishnamurty, M Stefanov, T Mineva, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 12, 2022
Automatic structural elucidation of vacancies in materials by active learning
Maicon Pierre Lourenço, Lizandra Barrios Herrera, Jiří Hostaš, et al.
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of 10
Search research articles
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Showing results (61-70 of 98) with videos related to
Sort By:
Page
of 10
Proceedings of the National Academy of Sciences of the United States of America
|
June 16, 2010
Surface residues dynamically organize water bridges to enhance electron transfer between proteins
Aurélien de la Lande, Nathan S Babcock, Jan Rezác, et al.
Chemical Communications (Cambridge, England)
|
May 10, 2018
Light-induced ATP driven self-assembly of actin and heavy-meromyosin in proteo-tubularsomes as a step toward artificial cells
Satarupa Dhir, Sumalee Salahub, Anu Stella Mathews, et al.
Journal of Chemical Theory and Computation
|
July 25, 2017
Simulating Electron Dynamics in Polarizable Environments
Xiaojing Wu, Jean-Marie Teuler, Fabien Cailliez, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 22, 2012
Quantum effects in biological electron transfer
Aurélien de la Lande, Nathan S Babcock, Jan Rezáč, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 21, 2025
Seeking metal-organic frameworks for hydrogen storage using classical and quantum active learning
Maicon Pierre Lourenço, Rishabh Shukla, Mosayeb Naseri, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 4, 2012
Contribution of high-energy conformations to NMR chemical shifts, a DFT-BOMD study
A Goursot, T Mineva, J M Vásquez-Pérez, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 13, 2023
Perovskenes: two-dimensional perovskite-type monolayer materials predicted by first-principles calculations
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 19, 2026
Exploring quantum active learning for materials design and discovery
Maicon Pierre Lourenço, Hadi Zadeh-Haghighi, Jiří Hostaš, et al.
The Journal of Physical Chemistry. B
|
September 27, 2008
Density functional theory-based conformational analysis of a phospholipid molecule (dimyristoyl phosphatidylcholine)
S Krishnamurty, M Stefanov, T Mineva, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 12, 2022
Automatic structural elucidation of vacancies in materials by active learning
Maicon Pierre Lourenço, Lizandra Barrios Herrera, Jiří Hostaš, et al.
Page
of 10