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Showing 91 - 105 of 20245
Publication
The oscillating Fischer-Tropsch reaction
Journal Article
Science, vol. 382, iss. 6666, pp. 99-103, 2023
Authors
Rui Zhang, Yong Wang, Pierre Gaspard, Norbert Kruse
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
Chemodiversity of riverine dissolved organic matter: Effects of local environments and watershed characteristics
Journal Article
Water Research, vol. 250, pp. 121054, 2024
Authors
Yifan Cui, Shuailong Wen, James C. Stegen, Ang Hu, Jianjun Wang
Publication
LungMAP Portal Ecosystem: Systems-Level Exploration of the Lung
Journal Article
American Journal of Respiratory Cell and Molecular Biology, 2022
Authors
Nathan Gaddis, Joshua Fortriede, Minzhe Guo, Eric E Bardes, Michal Kouril, Scott Tabar, Kevin Burns, Maryanne E Ardini-Poleske, 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
Dataset
E3SMv1 simulation output from sensitivity study on aerosol process coupling

PNNL-SA-192987 This dataset contains annual mean and 6-hourly output data from a set of E3SMv1 simulations that demonstrate the impact of numerical process coupling on the simulated dust life cycle. The simulations are documented and analyzed in the attached manuscript (pdf file). Publishing the...

Publication
Proteogenomics connects somatic mutations to signalling in breast cancer
Journal Article
Nature, vol. 534, iss. 7605, pp. 55-62, 2016
Authors
Philipp Mertins, , D. R. Mani, Kelly V. Ruggles, Michael A. Gillette, Karl R. Clauser, Pei Wang, Xianlong Wang, et al.
Publication
Integrated Proteogenomic Characterization of Clear Cell Renal Cell Carcinoma
Journal Article
Cell, vol. 180, iss. 1, pp. 207, 2020
Authors
David J. Clark, Saravana M. Dhanasekaran, Francesca Petralia, Jianbo Pan, Xiaoyu Song, Yingwei Hu, Felipe da Veiga Leprevost, Boris Reva, et al.
Publication
A parallel, distributed memory implementation of the adaptive sampling configuration interaction method
Journal Article
The Journal of Chemical Physics, vol. 158, iss. 21, 2023
Authors
David B. Williams-Young, Norm M. Tubman, Carlos Mejuto-Zaera, Wibe A. de Jong
Publication
A proteogenomic portrait of lung squamous cell carcinoma
Journal Article
Cell, vol. 184, iss. 16, pp. 4348-4371.e40, 2021
Authors
Shankha Satpathy, Karsten Krug, Pierre M. Jean Beltran, Sara R. Savage, Francesca Petralia, Chandan Kumar-Sinha, Yongchao Dou, Boris Reva, et al.
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
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
Nonequilibrium Solvation for an Aqueous-Phase Reaction
Book Chapter
Structure and Reactivity in Aqueous Solution, pp. 122-142, 2009
Authors
Bruce C. Garrett, Gregory K. Schenter
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
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