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Showing 616 - 630 of 20635
Publication
Complexation of heavy metal cations with imidazolium ionic liquids lowers their reduction energy: implications for electrochemical separations
Journal Article
Green Chemistry, 2024
Authors
Shuai Tan, Difan Zhang, Ying Chen, Benjamin A. Helfrecht, Eric T. Baxter, Wenjin Cao, Xue-Bin Wang, Manh-Thuong Nguyen, et al.
Publication
Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties
Journal Article
Journal of Chemical Theory and Computation, 2023
Authors
Giacomo Prampolini, Amity Andersen, Benjamin I. Poulter, Munira Khalil, Niranjan Govind, Elisa Biasin, Mariachiara Pastore
Publication
Dynamic solvent effects on activated chemical reactions. I. Classical effects of reaction path curvature
Journal Article
The Journal of Chemical Physics, vol. 97, iss. 12, pp. 9116-9137, 1992
Authors
Gregory K. Schenter, Robin P. McRae, Bruce C. Garrett
Publication
Perturbing Parameters to Understand Cloud Contributions to Climate Change
Journal Article
Journal of Climate, vol. 37, iss. 1, pp. 213-227, 2024
Authors
Margaret L. Duffy, Brian Medeiros, Andrew Gettelman, Trude Eidhammer
Publication
Formic Acid Dehydration Rates and Elementary Steps on Lewis Acid–Base Site Pairs at Anatase and Rutile TiO
2
Surfaces
Journal Article
The Journal of Physical Chemistry C, vol. 124, iss. 37, pp. 20161-20174, 2020
Authors
Stephanie Kwon, Ting Chun Lin, Enrique Iglesia
Publication
Centroid-density quantum rate theory: Variational optimization of the dividing surface
Journal Article
The Journal of Chemical Physics, vol. 98, iss. 11, pp. 8525-8536, 1993
Authors
Michael Messina, Gregory K. Schenter, Bruce C. Garrett
Publication
Editorial: Hydrology, ecology, and nutrient biogeochemistry at the terrestrial-aquatic interface
Journal Article
Frontiers in Environmental Science, vol. 11, 2023
Authors
Xingyuan Chen, Dipankar Dwivedi, Holly A. Michael
Publication
Pan-cancer proteogenomics connects oncogenic drivers to functional states
Journal Article
Cell, vol. 186, iss. 18, pp. 3921-3944.e25, 2023
Authors
Yize Li, Eduard Porta-Pardo, Collin Tokheim, Matthew H. Bailey, Tomer M. Yaron, Vasileios Stathias, Yifat Geffen, Kathleen J. Imbach, et al.
Publication
Process-Oriented Diagnostics: Principles, Practice, Community Development, and Common Standards
Journal Article
Bulletin of the American Meteorological Society, vol. 104, iss. 8, pp. E1452-E1468, 2023
Authors
J. David Neelin, John P. Krasting, Aparna Radhakrishnan, Jessica Liptak, Thomas Jackson, Yi Ming, Wenhao Dong, Andrew Gettelman, et al.
Publication
The electronic structure and conformation of dimethylaminobenzonitrile
Journal Article
Structural Chemistry, vol. 3, iss. 1, pp. 9-14, 1992
Authors
Sherif A. Kafafi, John P. LaFemina, Gregory K. Schenter
Publication
On the Links Between Ice Nucleation, Cloud Phase, and Climate Sensitivity in CESM2
Journal Article
Geophysical Research Letters, vol. 50, iss. 17, 2023
Authors
Zachary McGraw, Trude Storelvmo, Lorenzo M. Polvani, Stefan Hofer, Jonah K. Shaw, Andrew Gettelman
Publication
Potential main group amine borane-based chemical hydrogen storage molecular systems
Journal Article
Computational and Theoretical Chemistry, vol. 1189, pp. 112953, 2020
Authors
Matthew P. Confer, Darryl A. Outlaw, David A. Dixon
Publication
Direct fluorination of tetrafluoroethylene at low temperatures
Journal Article
Journal of Fluorine Chemistry, vol. 232, pp. 109493, 2020
Authors
Matthew P. Confer, Sadulla R. Allayarov, Ida P. Kim, I.V. Markin, Virgil E. Jackson, David A. Dixon
Publication
Acceleration of the Parameterization of Unified Microphysics Across Scales (PUMAS) on the Graphics Processing Unit (GPU) With Directive‐Based Methods
Journal Article
Journal of Advances in Modeling Earth Systems, vol. 15, iss. 5, 2023
Authors
Jian Sun, John M. Dennis, Sheri A. Mickelson, Brian Vanderwende, Andrew Gettelman, Katherine Thayer‐Calder
Publication
Two-step hyperparameter optimization method: Accelerating hyperparameter search by using a fraction of a training dataset
Journal Article
Artificial Intelligence for the Earth Systems, 2023
Authors
Sungduk Yu, Mike Pritchard, Po-Lun Ma, Balwinder Singh, Sam Silva
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