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Title: The effect of co-adsorbed solvent molecules on H 2 binding to metal alkoxides


Quantum mechanical calculations provide insights into interactions between solvent molecules and metal alkoxides and resulting hydrogen binding energies.

ORCiD logo [1]; ORCiD logo [2]
  1. Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, USA
  2. Department of Chemical and Biological Engineering, Northwestern University, Evanston, USA
Publication Date:
Sponsoring Org.:
OSTI Identifier:
Grant/Contract Number:  
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 21 Journal Issue: 18; Journal ID: ISSN 1463-9076
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom

Citation Formats

Colón, Yamil J., and Snurr, Randall Q. The effect of co-adsorbed solvent molecules on H 2 binding to metal alkoxides. United Kingdom: N. p., 2019. Web. doi:10.1039/C9CP00754G.
Colón, Yamil J., & Snurr, Randall Q. The effect of co-adsorbed solvent molecules on H 2 binding to metal alkoxides. United Kingdom. doi:10.1039/C9CP00754G.
Colón, Yamil J., and Snurr, Randall Q. Wed . "The effect of co-adsorbed solvent molecules on H 2 binding to metal alkoxides". United Kingdom. doi:10.1039/C9CP00754G.
title = {The effect of co-adsorbed solvent molecules on H 2 binding to metal alkoxides},
author = {Colón, Yamil J. and Snurr, Randall Q.},
abstractNote = {Quantum mechanical calculations provide insights into interactions between solvent molecules and metal alkoxides and resulting hydrogen binding energies.},
doi = {10.1039/C9CP00754G},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 18,
volume = 21,
place = {United Kingdom},
year = {2019},
month = {5}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C9CP00754G

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