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Journal of Computational Chemistry
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December 12, 2022
Insights into molecular cluster materials with adamantane-like core structures by considering dimer interactions
Sebastian Schwan, Andreas J Achazi, Ferdinand Ziese, et al.
Journal of Computational Chemistry
|
December 13, 2022
Schwarz P-surface via isolated sp<sup>2</sup> carbon heptagons: Design and properties
Alexey V Ignatchenko, Jacob P Willower
Journal of Computational Chemistry
|
June 28, 2022
Factor analysis of error in oxidation potential calculation: A machine learning study
Yuki Kanamaru, Toru Matsui
Journal of Computational Chemistry
|
July 5, 2022
Quantum computing in pharma: A multilayer embedding approach for near future applications
Róbert Izsák, Christoph Riplinger, Nick S Blunt, et al.
Journal of Computational Chemistry
|
October 7, 2020
The effect of different cutoff schemes in molecular simulations of proteins
Matthias Diem, Chris Oostenbrink
Journal of Computational Chemistry
|
October 27, 2020
On the many-body nature of intramolecular forces in FFLUX and its implications
Anton Konovalov, Benjamin C B Symons, Paul L A Popelier
Journal of Computational Chemistry
|
March 29, 2020
Statistical mechanical prediction of ligand perturbation to RNA secondary structure and application to riboswitches
Osama Alaidi, Fareed Aboul-Ela
Journal of Computational Chemistry
|
September 15, 2020
Role of alkylated residues in the tetrapeptide self-assembly-A molecular dynamics study
Rajarajeswari Muthusivarajan, William J Allen, Ashok D Pehere, et al.
Journal of Computational Chemistry
|
June 15, 2021
A molecular dynamics study of a fully zwitterionic copolymer/ionic liquid-based electrolyte: Li<sup>+</sup> transport mechanisms and ionic interactions
Tuanan C Lourenço, Mahsa Ebadi, Matthew J Panzer, et al.
Journal of Computational Chemistry
|
October 3, 2020
Atomistic hybrid particle-field molecular dynamics combined with slip-springs: Restoring entangled dynamics to simulations of polymer melts
Zhenghao Wu, Andreas Kalogirou, Antonio De Nicola, et al.
Page
of 594
Search research articles
Search
Showing results (1-10 of 5,938) with videos related to
Sort By:
Page
of 594
Journal of Computational Chemistry
|
December 12, 2022
Insights into molecular cluster materials with adamantane-like core structures by considering dimer interactions
Sebastian Schwan, Andreas J Achazi, Ferdinand Ziese, et al.
Journal of Computational Chemistry
|
December 13, 2022
Schwarz P-surface via isolated sp<sup>2</sup> carbon heptagons: Design and properties
Alexey V Ignatchenko, Jacob P Willower
Journal of Computational Chemistry
|
June 28, 2022
Factor analysis of error in oxidation potential calculation: A machine learning study
Yuki Kanamaru, Toru Matsui
Journal of Computational Chemistry
|
July 5, 2022
Quantum computing in pharma: A multilayer embedding approach for near future applications
Róbert Izsák, Christoph Riplinger, Nick S Blunt, et al.
Journal of Computational Chemistry
|
October 7, 2020
The effect of different cutoff schemes in molecular simulations of proteins
Matthias Diem, Chris Oostenbrink
Journal of Computational Chemistry
|
October 27, 2020
On the many-body nature of intramolecular forces in FFLUX and its implications
Anton Konovalov, Benjamin C B Symons, Paul L A Popelier
Journal of Computational Chemistry
|
March 29, 2020
Statistical mechanical prediction of ligand perturbation to RNA secondary structure and application to riboswitches
Osama Alaidi, Fareed Aboul-Ela
Journal of Computational Chemistry
|
September 15, 2020
Role of alkylated residues in the tetrapeptide self-assembly-A molecular dynamics study
Rajarajeswari Muthusivarajan, William J Allen, Ashok D Pehere, et al.
Journal of Computational Chemistry
|
June 15, 2021
A molecular dynamics study of a fully zwitterionic copolymer/ionic liquid-based electrolyte: Li<sup>+</sup> transport mechanisms and ionic interactions
Tuanan C Lourenço, Mahsa Ebadi, Matthew J Panzer, et al.
Journal of Computational Chemistry
|
October 3, 2020
Atomistic hybrid particle-field molecular dynamics combined with slip-springs: Restoring entangled dynamics to simulations of polymer melts
Zhenghao Wu, Andreas Kalogirou, Antonio De Nicola, et al.
Page
of 594