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Journal of Chemical Theory and Computation
|
December 28, 2020
Generalization of Block-Localized Wave Function for Constrained Optimization of Excited Determinants
Adam Grofe, Ruoqi Zhao, Andrew Wildman, et al.
The Journal of Physical Chemistry Letters
|
July 30, 2021
Dynamic-then-Static Approach for Core Excitations of Open-Shell Molecules
Ruoqi Zhao, Adam Grofe, Zikuan Wang, et al.
The Journal of Chemical Physics
|
October 2, 2017
Enhanced vibrational solvatochromism and spectral diffusion by electron rich substituents on small molecule silanes
Courtney M Olson, Adam Grofe, Christopher J Huber, et al.
The Journal of Chemical Physics
|
March 16, 2022
Origin of thiocyanate spectral shifts in water and organic solvents
Ruoqi Zhao, Joseph C Shirley, Euihyun Lee, et al.
The Journal of Chemical Physics
|
March 1, 2023
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation
Jan P Unsleber, Hongbin Liu, Leopold Talirz, et al.
The Journal of Chemical Physics
|
October 21, 2024
Electronic structure simulations in the cloud computing environment
Eric J Bylaska, Ajay Panyala, Nicholas P Bauman, et al.
Page
of 2
Search research articles
Search
Showing results (11-20 of 16) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 16 results.
Journal of Chemical Theory and Computation
|
December 28, 2020
Generalization of Block-Localized Wave Function for Constrained Optimization of Excited Determinants
Adam Grofe, Ruoqi Zhao, Andrew Wildman, et al.
The Journal of Physical Chemistry Letters
|
July 30, 2021
Dynamic-then-Static Approach for Core Excitations of Open-Shell Molecules
Ruoqi Zhao, Adam Grofe, Zikuan Wang, et al.
The Journal of Chemical Physics
|
October 2, 2017
Enhanced vibrational solvatochromism and spectral diffusion by electron rich substituents on small molecule silanes
Courtney M Olson, Adam Grofe, Christopher J Huber, et al.
The Journal of Chemical Physics
|
March 16, 2022
Origin of thiocyanate spectral shifts in water and organic solvents
Ruoqi Zhao, Joseph C Shirley, Euihyun Lee, et al.
The Journal of Chemical Physics
|
March 1, 2023
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation
Jan P Unsleber, Hongbin Liu, Leopold Talirz, et al.
The Journal of Chemical Physics
|
October 21, 2024
Electronic structure simulations in the cloud computing environment
Eric J Bylaska, Ajay Panyala, Nicholas P Bauman, et al.
Page
of 2