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The Journal of Chemical Physics
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July 23, 2004
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
Hans W Horn, William C Swope, Jed W Pitera, et al.
The Journal of Physical Chemistry. A
|
April 27, 2023
Excited-State Dynamics during Primary C-I Homolysis in Acetyl Iodide Revealed by Ultrafast Core-Level Spectroscopy
Jan Troß, Kevin Carter-Fenk, Neil C Cole-Filipiak, et al.
ACS Central Science
|
December 4, 2025
SynLlama: Generating Synthesizable Molecules and Their Analogs with Large Language Models
Kunyang Sun, Dorian Bagni, Joseph M Cavanagh, et al.
The Journal of Physical Chemistry. A
|
August 30, 2008
Direct observation of photoinduced bent nitrosyl excited-state complexes
Karma R Sawyer, Ryan P Steele, Elizabeth A Glascoe, et al.
Chemical Science
|
March 29, 2024
Understanding ion-transfer reactions in silver electrodissolution and electrodeposition from first-principles calculations and experiments
Richard Kang, Yang Zhao, Diptarka Hait, et al.
Journal of Chemical Theory and Computation
|
February 7, 2023
Learning Correlations between Internal Coordinates to Improve 3D Cartesian Coordinates for Proteins
Jie Li, Oufan Zhang, Seokyoung Lee, et al.
Nature Communications
|
October 14, 2024
Analytical ab initio hessian from a deep learning potential for transition state optimization
Eric C-Y Yuan, Anup Kumar, Xingyi Guan, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 13, 2018
Two-dimensional electronic-vibrational spectroscopic study of conical intersection dynamics: an experimental and electronic structure study
Eric C Wu, Qinghui Ge, Eric A Arsenault, et al.
JACS Au
|
March 29, 2021
AutoDetect-mNP: An Unsupervised Machine Learning Algorithm for Automated Analysis of Transmission Electron Microscope Images of Metal Nanoparticles
Xingzhi Wang, Jie Li, Hyun Dong Ha, et al.
International Journal of Molecular Sciences
|
April 3, 2021
Configurational Entropy of Folded Proteins and Its Importance for Intrinsically Disordered Proteins
Meili Liu, Akshaya K Das, James Lincoff, et al.
Page
of 63
Search research articles
Search
Showing results (561-570 of 626) with videos related to
Sort By:
Page
of 63
The Journal of Chemical Physics
|
July 23, 2004
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
Hans W Horn, William C Swope, Jed W Pitera, et al.
The Journal of Physical Chemistry. A
|
April 27, 2023
Excited-State Dynamics during Primary C-I Homolysis in Acetyl Iodide Revealed by Ultrafast Core-Level Spectroscopy
Jan Troß, Kevin Carter-Fenk, Neil C Cole-Filipiak, et al.
ACS Central Science
|
December 4, 2025
SynLlama: Generating Synthesizable Molecules and Their Analogs with Large Language Models
Kunyang Sun, Dorian Bagni, Joseph M Cavanagh, et al.
The Journal of Physical Chemistry. A
|
August 30, 2008
Direct observation of photoinduced bent nitrosyl excited-state complexes
Karma R Sawyer, Ryan P Steele, Elizabeth A Glascoe, et al.
Chemical Science
|
March 29, 2024
Understanding ion-transfer reactions in silver electrodissolution and electrodeposition from first-principles calculations and experiments
Richard Kang, Yang Zhao, Diptarka Hait, et al.
Journal of Chemical Theory and Computation
|
February 7, 2023
Learning Correlations between Internal Coordinates to Improve 3D Cartesian Coordinates for Proteins
Jie Li, Oufan Zhang, Seokyoung Lee, et al.
Nature Communications
|
October 14, 2024
Analytical ab initio hessian from a deep learning potential for transition state optimization
Eric C-Y Yuan, Anup Kumar, Xingyi Guan, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 13, 2018
Two-dimensional electronic-vibrational spectroscopic study of conical intersection dynamics: an experimental and electronic structure study
Eric C Wu, Qinghui Ge, Eric A Arsenault, et al.
JACS Au
|
March 29, 2021
AutoDetect-mNP: An Unsupervised Machine Learning Algorithm for Automated Analysis of Transmission Electron Microscope Images of Metal Nanoparticles
Xingzhi Wang, Jie Li, Hyun Dong Ha, et al.
International Journal of Molecular Sciences
|
April 3, 2021
Configurational Entropy of Folded Proteins and Its Importance for Intrinsically Disordered Proteins
Meili Liu, Akshaya K Das, James Lincoff, et al.
Page
of 63