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The Journal of Physical Chemistry. A
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November 8, 2023
Anisotropic Interlayer Force Field for Group-VI Transition Metal Dichalcogenides
Wenwu Jiang, Reut Sofer, Xiang Gao, et al.
Physical Review Letters
|
August 29, 2014
Adsorption geometry determination of single molecules by atomic force microscopy
Bruno Schuler, Wei Liu, Alexandre Tkatchenko, et al.
Journal of Chemical Theory and Computation
|
May 5, 2018
Quantitative Prediction of Optical Absorption in Molecular Solids from an Optimally Tuned Screened Range-Separated Hybrid Functional
Arun K Manna, Sivan Refaely-Abramson, Anthony M Reilly, et al.
Science Advances
|
April 22, 2026
Accurate density functional theory for noncovalent interactions in charged systems
Heng Zhao, Balázs D Lőrincz, Tobias Henkes, et al.
Nature Communications
|
April 5, 2020
From quantum to continuum mechanics in the delamination of atomically-thin layers from substrates
Paul Hauseux, Thanh-Tung Nguyen, Alberto Ambrosetti, et al.
Chemical Science
|
October 13, 2023
"Freedom of design" in chemical compound space: towards rational <i>in silico</i> design of molecules with targeted quantum-mechanical properties
Leonardo Medrano Sandonas, Johannes Hoja, Brian G Ernst, et al.
Scientific Data
|
February 3, 2021
QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
Johannes Hoja, Leonardo Medrano Sandonas, Brian G Ernst, et al.
Chemical Reviews
|
July 7, 2021
Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems
John A Keith, Valentin Vassilev-Galindo, Bingqing Cheng, et al.
Scientific Reports
|
January 10, 2025
Machine learning in the prediction of human wellbeing
Ekaterina Oparina, Caspar Kaiser, Niccolò Gentile, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 16, 2023
Affinity of Telluronium Chalcogen Bond Donors for Lewis Bases in Solution: A Critical Experimental-Theoretical Joint Study
Loïc Groslambert, Yann Cornaton, Matej Ditte, et al.
Page
of 20
Search research articles
Search
Showing results (151-160 of 199) with videos related to
Sort By:
Page
of 20
The Journal of Physical Chemistry. A
|
November 8, 2023
Anisotropic Interlayer Force Field for Group-VI Transition Metal Dichalcogenides
Wenwu Jiang, Reut Sofer, Xiang Gao, et al.
Physical Review Letters
|
August 29, 2014
Adsorption geometry determination of single molecules by atomic force microscopy
Bruno Schuler, Wei Liu, Alexandre Tkatchenko, et al.
Journal of Chemical Theory and Computation
|
May 5, 2018
Quantitative Prediction of Optical Absorption in Molecular Solids from an Optimally Tuned Screened Range-Separated Hybrid Functional
Arun K Manna, Sivan Refaely-Abramson, Anthony M Reilly, et al.
Science Advances
|
April 22, 2026
Accurate density functional theory for noncovalent interactions in charged systems
Heng Zhao, Balázs D Lőrincz, Tobias Henkes, et al.
Nature Communications
|
April 5, 2020
From quantum to continuum mechanics in the delamination of atomically-thin layers from substrates
Paul Hauseux, Thanh-Tung Nguyen, Alberto Ambrosetti, et al.
Chemical Science
|
October 13, 2023
"Freedom of design" in chemical compound space: towards rational <i>in silico</i> design of molecules with targeted quantum-mechanical properties
Leonardo Medrano Sandonas, Johannes Hoja, Brian G Ernst, et al.
Scientific Data
|
February 3, 2021
QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
Johannes Hoja, Leonardo Medrano Sandonas, Brian G Ernst, et al.
Chemical Reviews
|
July 7, 2021
Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems
John A Keith, Valentin Vassilev-Galindo, Bingqing Cheng, et al.
Scientific Reports
|
January 10, 2025
Machine learning in the prediction of human wellbeing
Ekaterina Oparina, Caspar Kaiser, Niccolò Gentile, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 16, 2023
Affinity of Telluronium Chalcogen Bond Donors for Lewis Bases in Solution: A Critical Experimental-Theoretical Joint Study
Loïc Groslambert, Yann Cornaton, Matej Ditte, et al.
Page
of 20