Các bài viết có thể truy cập công khai - Gregory SchenterTìm hiểu thêm
Không có ở bất kỳ nơi nào: 11
Marcus theory of ion-pairing
S Roy, MD Baer, CJ Mundy, GK Schenter
Journal of chemical theory and computation 13 (8), 3470-3477, 2017
Các cơ quan ủy nhiệm: US Department of Energy
Reaction rate theory in coordination number space: An application to ion solvation
S Roy, MD Baer, CJ Mundy, GK Schenter
The Journal of Physical Chemistry C 120 (14), 7597-7605, 2016
Các cơ quan ủy nhiệm: US Department of Energy
Visualization of aluminum ions at the mica water interface links hydrolysis state-to-surface potential and particle adhesion
BA Legg, MD Baer, J Chun, GK Schenter, S Huang, Y Zhang, Y Min, ...
Journal of the American Chemical Society 142 (13), 6093-6102, 2020
Các cơ quan ủy nhiệm: US Department of Energy
Toward a first-principles framework for predicting collective properties of electrolytes
TT Duignan, SM Kathmann, GK Schenter, CJ Mundy
Accounts of Chemical Research 54 (13), 2833-2843, 2021
Các cơ quan ủy nhiệm: US Department of Energy, Australian Research Council
The role of solvent heterogeneity in determining the dispersion interaction between nanoassemblies
J Chun, CJ Mundy, GK Schenter
The Journal of Physical Chemistry B 119 (18), 5873-5881, 2015
Các cơ quan ủy nhiệm: US Department of Energy
Rate theory of ion pairing at the water liquid–vapor interface
LX Dang, GK Schenter, CD Wick
The Journal of Physical Chemistry C 121 (18), 10018-10026, 2017
Các cơ quan ủy nhiệm: US Department of Energy
27Al Pulsed Field Gradient, Diffusion–NMR Spectroscopy of Solvation Dynamics and Ion Pairing in Alkaline Aluminate Solutions
TR Graham, KS Han, M Dembowski, AJ Krzysko, X Zhang, J Hu, SB Clark, ...
The Journal of Physical Chemistry B 122 (48), 10907-10912, 2018
Các cơ quan ủy nhiệm: US Department of Energy
Mechanisms of Al3+ Dimerization in Alkaline Solutions
M Pouvreau, E Martinez-Baez, M Dembowski, CI Pearce, GK Schenter, ...
Inorganic chemistry 59 (24), 18181-18189, 2020
Các cơ quan ủy nhiệm: US Department of Energy
PageRank as a collective variable to study complex chemical transformations and their energy landscapes
T Zhou, E Martinez-Baez, G Schenter, AE Clark
The Journal of chemical physics 150 (13), 2019
Các cơ quan ủy nhiệm: US Department of Energy
Molecular Dynamics Simulations and XAFS (MD-XAFS)
GK Schenter, JL Fulton
XAFS Techniques for Catalysts, Nanomaterials, and Surfaces, 251-270, 2016
Các cơ quan ủy nhiệm: US Department of Energy
The Statistical Mechanics of Solution-Phase Nucleation: CaCO Revisited
EO Fetisov, MD Baer, JI Siepmann, GK Schenter, SM Kathmann, ...
Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS …, 2021
Các cơ quan ủy nhiệm: US National Science Foundation, US Department of Energy
Có tại một số nơi: 64
CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations
TD Kühne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ...
The Journal of Chemical Physics 152 (19), 2020
Các cơ quan ủy nhiệm: US Department of Energy, Swiss National Science Foundation, Natural Sciences …
Supersaturated calcium carbonate solutions are classical
K Henzler, EO Fetisov, M Galib, MD Baer, BA Legg, C Borca, JM Xto, ...
Science advances 4 (1), eaao6283, 2018
Các cơ quan ủy nhiệm: US National Science Foundation, US Department of Energy, Swiss National …
Revisiting the hydration structure of aqueous Na+
M Galib, MD Baer, LB Skinner, CJ Mundy, T Huthwelker, GK Schenter, ...
The Journal of chemical physics 146 (8), 2017
Các cơ quan ủy nhiệm: US Department of Energy
Probing equilibrium of molecular and deprotonated water on TiO2 (110)
ZT Wang, YG Wang, R Mu, Y Yoon, A Dahal, GK Schenter, VA Glezakou, ...
Proceedings of the National Academy of Sciences 114 (8), 1801-1805, 2017
Các cơ quan ủy nhiệm: US Department of Energy
Electron-driven acid-base chemistry: proton transfer from hydrogen chloride to ammonia
SN Eustis, D Radisic, KH Bowen, RA Bachorz, M Haranczyk, GK Schenter, ...
Science 319 (5865), 936-939, 2008
Các cơ quan ủy nhiệm: German Research Foundation
Connecting energetics to dynamics in particle growth by oriented attachment using real-time observations
L Liu, E Nakouzi, ML Sushko, GK Schenter, CJ Mundy, J Chun, ...
Nature communications 11 (1), 1045, 2020
Các cơ quan ủy nhiệm: US Department of Energy
Real single ion solvation free energies with quantum mechanical simulation
TT Duignan, MD Baer, GK Schenter, CJ Mundy
Chemical Science 8 (9), 6131-6140, 2017
Các cơ quan ủy nhiệm: US Department of Energy
Many-Body Effects Determine the Local Hydration Structure of Cs+ in Solution
D Zhuang, M Riera, GK Schenter, JL Fulton, F Paesani
The journal of physical chemistry letters 10 (3), 406-412, 2019
Các cơ quan ủy nhiệm: US National Science Foundation, US Department of Energy
Mass density fluctuations in quantum and classical descriptions of liquid water
M Galib, TT Duignan, Y Misteli, MD Baer, GK Schenter, J Hutter, ...
The Journal of chemical physics 146 (24), 2017
Các cơ quan ủy nhiệm: US Department of Energy
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