Search research articles
Contact Us
Filters
Showing results (141-150 of 199) with videos related to
Page
of 20
Sort By:
Science Advances
|
February 13, 2019
Reliable and practical computational description of molecular crystal polymorphs
Johannes Hoja, Hsin-Yu Ko, Marcus A Neumann, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Noncovalent Interactions of DNA Bases with Naphthalene and Graphene
Yeonchoo Cho, Seung Kyu Min, Jeonghun Yun, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals
Noa Marom, Alexandre Tkatchenko, Mariana Rossi, et al.
Proteins
|
April 17, 2021
Molecular basis for higher affinity of SARS-CoV-2 spike RBD for human ACE2 receptor
Julián M Delgado, Nalvi Duro, David M Rogers, et al.
The Journal of Chemical Physics
|
November 7, 2023
libMBD: A general-purpose package for scalable quantum many-body dispersion calculations
Jan Hermann, Martin Stöhr, Szabolcs Góger, et al.
The Journal of Chemical Physics
|
February 9, 2022
Dimensionality reduction in machine learning for nonadiabatic molecular dynamics: Effectiveness of elemental sublattices in lead halide perovskites
Wei Bin How, Bipeng Wang, Weibin Chu, et al.
Journal of Chemical Theory and Computation
|
November 1, 2021
Anisotropic Interlayer Force Field for Transition Metal Dichalcogenides: The Case of Molybdenum Disulfide
Wengen Ouyang, Reut Sofer, Xiang Gao, et al.
Physical Review Letters
|
November 24, 2011
Hydrogen bonds and van der waals forces in ice at ambient and high pressures
Biswajit Santra, Jiří Klimeš, Dario Alfè, et al.
The Journal of Chemical Physics
|
October 29, 2013
On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures
Biswajit Santra, Jirí Klimes, Alexandre Tkatchenko, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2026
Advancing density functional tight-binding method for large organic molecules through equivariant neural networks
Leonardo Medrano Sandonas, Mirela Puleva, Zekiye Erarslan, et al.
Page
of 20
Search research articles
Search
Showing results (141-150 of 199) with videos related to
Sort By:
Page
of 20
Science Advances
|
February 13, 2019
Reliable and practical computational description of molecular crystal polymorphs
Johannes Hoja, Hsin-Yu Ko, Marcus A Neumann, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Noncovalent Interactions of DNA Bases with Naphthalene and Graphene
Yeonchoo Cho, Seung Kyu Min, Jeonghun Yun, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals
Noa Marom, Alexandre Tkatchenko, Mariana Rossi, et al.
Proteins
|
April 17, 2021
Molecular basis for higher affinity of SARS-CoV-2 spike RBD for human ACE2 receptor
Julián M Delgado, Nalvi Duro, David M Rogers, et al.
The Journal of Chemical Physics
|
November 7, 2023
libMBD: A general-purpose package for scalable quantum many-body dispersion calculations
Jan Hermann, Martin Stöhr, Szabolcs Góger, et al.
The Journal of Chemical Physics
|
February 9, 2022
Dimensionality reduction in machine learning for nonadiabatic molecular dynamics: Effectiveness of elemental sublattices in lead halide perovskites
Wei Bin How, Bipeng Wang, Weibin Chu, et al.
Journal of Chemical Theory and Computation
|
November 1, 2021
Anisotropic Interlayer Force Field for Transition Metal Dichalcogenides: The Case of Molybdenum Disulfide
Wengen Ouyang, Reut Sofer, Xiang Gao, et al.
Physical Review Letters
|
November 24, 2011
Hydrogen bonds and van der waals forces in ice at ambient and high pressures
Biswajit Santra, Jiří Klimeš, Dario Alfè, et al.
The Journal of Chemical Physics
|
October 29, 2013
On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures
Biswajit Santra, Jirí Klimes, Alexandre Tkatchenko, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2026
Advancing density functional tight-binding method for large organic molecules through equivariant neural networks
Leonardo Medrano Sandonas, Mirela Puleva, Zekiye Erarslan, et al.
Page
of 20