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Title: Liquid-Phase Modeling in Heterogeneous Catalysis


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.

 [1]; ORCiD logo [1]
  1. Univ. of South Carolina, Columbia, SC (United States). Dept. of Chemical Engineering
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:
Alternate Identifier(s):
OSTI ID: 1656904
Grant/Contract Number:  
Resource Type:
Accepted Manuscript
Journal Name:
ACS Catalysis
Additional Journal Information:
Journal Volume: 8; Journal Issue: 3; Journal ID: ISSN 2155-5435
American Chemical Society (ACS)
Country of Publication:
United States
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.
Saleheen, Mohammad, and Heyden, Andreas. Tue . "Liquid-Phase Modeling in Heterogeneous Catalysis". United States.
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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