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Showing 3061 - 3075 of 21137
Publication
The partial reduction of clean and doped α-Fe2O3(0001) from first principles
Journal Article
Applied Catalysis A: General, vol. 582, pp. 116989, 2019
Authors
Alyssa J.R. Hensley, Yong Wang, Jean-Sabin McEwen
Publication
Rational Design of Electrolytes for Long-Term Cycling of Si Anodes over a Wide Temperature Range
Journal Article
ACS Energy Letters, vol. 6, iss. 2, pp. 387-394, 2021
Authors
Sujong Chae, Won-Jin Kwak, Kee Sung Han, Shuang Li, Mark H. Engelhard, Jiangtao Hu, Chongmin Wang, Xiaolin Li, et al.
Publication
The interaction of reactants, intermediates and products with Cu ions in Cu-SSZ-13 NH
3
SCR catalysts: an energetic and ab initio X-ray absorption modeling study
Journal Article
Catalysis Science & Technology, vol. 6, iss. 15, pp. 5812-5829, 2016
Authors
Renqin Zhang, János Szanyi, Feng Gao, Jean-Sabin McEwen
Publication
Confinement effects and acid strength in zeolites
Journal Article
Nature Communications, vol. 12, iss. 1, 2021
Authors
Emanuele Grifoni, GiovanniMaria Piccini, Johannes A. Lercher, Vassiliki-Alexandra Glezakou, Roger Rousseau, Michele Parrinello
Publication
Thermodynamic and kinetic roles of H2 in structure evolution of urchin-like Co: A density functional theory study
Journal Article
Particuology, vol. 48, pp. 2-12, 2020
Authors
Xiaolei Wang, Ning Liu, Qinwei Zhang, Xin Liang, Biaohua Chen, Donghai Mei
Publication
Blending Machine Learning and Interaction Design in Audio Explorer
Journal Article
IEEE Computer Graphics and Applications, vol. 41, iss. 2, pp. 89-95, 2021
Authors
Colin Scruggs, Cameron Henkel, Charles Stolper, Kris Cook, R. Jordan Crouser
Publication
TiO2-x/CoOx photocatalyst sparkles in photothermocatalytic reduction of CO2 with H2O steam
Journal Article
Applied Catalysis B: Environmental, vol. 243, pp. 760-770, 2019
Authors
Yingying Li, Changhua Wang, Miao Song, Dongsheng Li, Xintong Zhang, Yichun Liu
Publication
Vision, challenges and opportunities for a Plant Cell Atlas
Journal Article
eLife, vol. 10, 2021
Authors
, Jahed Ahmed, Oluwafemi Alaba, Gazala Ameen, Vaishali Arora, Mario A Arteaga-Vazquez, Alok Arun, Julia Bailey-Serres, et al.
Publication
Resonant Stimulated X-ray Raman Spectroscopy of Mixed-Valence Manganese Complexes
Journal Article
The Journal of Physical Chemistry Letters, vol. 12, iss. 25, pp. 5925-5931, 2021
Authors
Stefano M. Cavaletto, Daniel R. Nascimento, Yu Zhang, Niranjan Govind, Shaul Mukamel
Publication
Enhancing integrated analysis of national and global goal pursuit by endogenizing economic productivity
Journal Article
PLOS ONE, vol. 16, iss. 2, pp. e0246797, 2021
Authors
Barry B. Hughes, Kanishka Narayan, Yangyang Xu
Publication
iSPECTRON : A simulation interface for linear and nonlinear spectra with ab‐initio quantum chemistry software
Journal Article
Journal of Computational Chemistry, vol. 42, iss. 9, pp. 644-659, 2021
Authors
Francesco Segatta, Artur Nenov, Daniel R. Nascimento, Niranjan Govind, Shaul Mukamel, Marco Garavelli
Publication
Time-Dependent Complete Active Space Embedded in a Polarizable Force Field
Journal Article
Journal of Chemical Theory and Computation, vol. 15, iss. 3, pp. 1633-1641, 2019
Authors
Hongbin Liu, Andrew J. Jenkins, Andrew Wildman, Michael J. Frisch, Filippo Lipparini, Benedetta Mennucci, Xiaosong Li
Publication
Ion-Exchange Interdiffusion Model with Potential Application to Long-Term Nuclear Waste Glass Performance
Journal Article
The Journal of Physical Chemistry C, vol. 120, iss. 17, pp. 9374-9384, 2016
Authors
James Joseph Neeway, Sebastien N. Kerisit, Jia Liu, Jiandong Zhang, Zihua Zhu, Brian Joseph Riley, Joseph Vincent Ryan
Publication
Impact of solar geoengineering on temperatures over the Indonesian Maritime Continent
Journal Article
International Journal of Climatology, vol. 42, iss. 5, pp. 2795-2814, 2021
Authors
Heri Kuswanto, Ben Kravitz, Brina Miftahurrohmah, Fatkhurokhman Fauzi, Ardhasena Sopahaluwaken, John Moore
Publication
Structural diversity in the Mycobacteria DUF3349 superfamily
Journal Article
Protein Science, vol. 29, iss. 3, pp. 670-685, 2019
Authors
Garry W. Buchko, Jan Abendroth, John I. Robinson, Isabelle Q. Phan, Peter J. Myler, Thomas E. Edwards
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