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The Journal of Chemical Physics
|
December 16, 2021
Flexible boundary layer using exchange for embedding theories. I. Theory and implementation
Zhuofan Shen, William J Glover
Journal of Chemical Theory and Computation
|
February 8, 2024
Multistate, Polarizable QM/MM Embedding Scheme Based on the Direct Reaction Field Method: Solvatochromic Shifts, Analytical Gradients and Optimizations of Conical Intersections in Solution
Alexander Humeniuk, William J Glover
Journal of Chemical Theory and Computation
|
August 31, 2016
Short-Range Electron Correlation Stabilizes Noncavity Solvation of the Hydrated Electron
William J Glover, Benjamin J Schwartz
The Journal of Chemical Physics
|
October 12, 2004
Raman spectra of ionic liquids: a simulation study of LaCl3 and its mixtures with alkali chlorides
William J Glover, Paul A Madden
Journal of Chemical Theory and Computation
|
March 22, 2018
Polarizable Embedding for Excited-State Reactions: Dynamically Weighted Polarizable QM/MM
Muhammad A Hagras, William J Glover
Journal of Chemical Theory and Computation
|
January 9, 2020
The Fluxional Nature of the Hydrated Electron: Energy and Entropy Contributions to Aqueous Electron Free Energies
William J Glover, Benjamin J Schwartz
Journal of Chemical Theory and Computation
|
February 4, 2021
Diabatic Many-Body Expansion: Development and Application to Charge-Transfer Reactions
Amiel S P Paz, William J Glover
Journal of Chemical Theory and Computation
|
June 20, 2020
Fragment Quantum Mechanical Method for Excited States of Proteins: Development and Application to the Green Fluorescent Protein
Xinsheng Jin, William J Glover, Xiao He
Journal of Chemical Theory and Computation
|
October 17, 2022
Conical Intersections in Solution with Polarizable Embedding: Integral-Exact Direct Reaction Field
Xiao Liu, Alexander Humeniuk, William J Glover
The Journal of Chemical Physics
|
December 16, 2021
Flexible boundary layer using exchange for embedding theories. II. QM/MM dynamics of the hydrated electron
Zhuofan Shen, Shaoting Peng, William J Glover
Page
of 4
Search research articles
Search
Showing results (1-10 of 38) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
December 16, 2021
Flexible boundary layer using exchange for embedding theories. I. Theory and implementation
Zhuofan Shen, William J Glover
Journal of Chemical Theory and Computation
|
February 8, 2024
Multistate, Polarizable QM/MM Embedding Scheme Based on the Direct Reaction Field Method: Solvatochromic Shifts, Analytical Gradients and Optimizations of Conical Intersections in Solution
Alexander Humeniuk, William J Glover
Journal of Chemical Theory and Computation
|
August 31, 2016
Short-Range Electron Correlation Stabilizes Noncavity Solvation of the Hydrated Electron
William J Glover, Benjamin J Schwartz
The Journal of Chemical Physics
|
October 12, 2004
Raman spectra of ionic liquids: a simulation study of LaCl3 and its mixtures with alkali chlorides
William J Glover, Paul A Madden
Journal of Chemical Theory and Computation
|
March 22, 2018
Polarizable Embedding for Excited-State Reactions: Dynamically Weighted Polarizable QM/MM
Muhammad A Hagras, William J Glover
Journal of Chemical Theory and Computation
|
January 9, 2020
The Fluxional Nature of the Hydrated Electron: Energy and Entropy Contributions to Aqueous Electron Free Energies
William J Glover, Benjamin J Schwartz
Journal of Chemical Theory and Computation
|
February 4, 2021
Diabatic Many-Body Expansion: Development and Application to Charge-Transfer Reactions
Amiel S P Paz, William J Glover
Journal of Chemical Theory and Computation
|
June 20, 2020
Fragment Quantum Mechanical Method for Excited States of Proteins: Development and Application to the Green Fluorescent Protein
Xinsheng Jin, William J Glover, Xiao He
Journal of Chemical Theory and Computation
|
October 17, 2022
Conical Intersections in Solution with Polarizable Embedding: Integral-Exact Direct Reaction Field
Xiao Liu, Alexander Humeniuk, William J Glover
The Journal of Chemical Physics
|
December 16, 2021
Flexible boundary layer using exchange for embedding theories. II. QM/MM dynamics of the hydrated electron
Zhuofan Shen, Shaoting Peng, William J Glover
Page
of 4