Liquid-Phase Modeling in Heterogeneous Catalysis
Abstract
A perspective of liquid-phase modeling in heterogeneous catalysis together with new results on O-H bond cleavage in ethylene glycol over Pt(111) obtained by explicit solvation models.
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of South Carolina, Columbia, SC (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1485477
- Alternate Identifier(s):
- OSTI ID: 1656904
- Grant/Contract Number:
- SC0007167
- Resource Type:
- Accepted Manuscript
- Journal Name:
- ACS Catalysis
- Additional Journal Information:
- Journal Volume: 8; Journal Issue: 3; Journal ID: ISSN 2155-5435
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; solvent; heterogeneous catalysis; computation; implicit solvation; explicit solvation
Citation Formats
Saleheen, Mohammad, and Heyden, Andreas. Liquid-Phase Modeling in Heterogeneous Catalysis. United States: N. p., 2018.
Web. doi:10.1021/acscatal.7b04367.
Saleheen, Mohammad, & Heyden, Andreas. Liquid-Phase Modeling in Heterogeneous Catalysis. United States. https://doi.org/10.1021/acscatal.7b04367
Saleheen, Mohammad, and Heyden, Andreas. Tue .
"Liquid-Phase Modeling in Heterogeneous Catalysis". United States. https://doi.org/10.1021/acscatal.7b04367. https://www.osti.gov/servlets/purl/1485477.
@article{osti_1485477,
title = {Liquid-Phase Modeling in Heterogeneous Catalysis},
author = {Saleheen, Mohammad and Heyden, Andreas},
abstractNote = {A perspective of liquid-phase modeling in heterogeneous catalysis together with new results on O-H bond cleavage in ethylene glycol over Pt(111) obtained by explicit solvation models.},
doi = {10.1021/acscatal.7b04367},
journal = {ACS Catalysis},
number = 3,
volume = 8,
place = {United States},
year = {2018},
month = {1}
}
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