@article{boes-2015-estim-bulk,
author = {Jacob R. Boes and Gamze Gumuslu and James B. Miller and Andrew
J. Gellman and John R. Kitchin},
title = {Estimating Bulk-Composition-Dependent H2 Adsorption Energies
on CuxPd1-x Alloy (111) Surfaces},
journal = {ACS Catalysis},
volume = 5,
pages = {1020-1026},
year = 2015,
doi = {10.1021/cs501585k},
url = {https://doi.org/10.1021/cs501585k},
keywords = {orgmode},
}
@article{curnan-2014-effec-concen,
author = {Curnan, Matthew T. and Kitchin, John R.},
title = {Effects of Concentration, Crystal Structure, Magnetism, and
Electronic Structure Method on First-Principles Oxygen Vacancy
Formation Energy Trends in Perovskites},
journal = {The Journal of Physical Chemistry C},
volume = 118,
number = 49,
pages = {28776-28790},
year = 2014,
doi = {10.1021/jp507957n},
url = {https://doi.org/10.1021/jp507957n},
keywords = {orgmode, },
eprint = { https://doi.org/10.1021/jp507957n },
}
@article{hallenbeck-2013-effec-o2,
author = "Hallenbeck, Alexander P. and Kitchin, John R.",
title = {Effects of O2 and SO2 on the Capture Capacity of a
Primary-Amine Based Polymeric CO2 Sorbent},
journal = "Industrial \& Engineering Chemistry Research",
volume = 52,
number = 31,
pages = "10788-10794",
year = 2013,
doi = "10.1021/ie400582a",
url = "http://pubs.acs.org/doi/abs/10.1021/ie400582a",
keywords = {RUA, orgmode},
eprint = "http://pubs.acs.org/doi/pdf/10.1021/ie400582a",
}
@article{kitchin-2015-data-surfac-scien,
author = "John R. Kitchin",
title = {Data Sharing in Surface Science},
journal = "Surface Science ",
number = 0,
pages = " - ",
year = 2015,
doi = {10.1016/j.susc.2015.05.007},
url =
"http://www.sciencedirect.com/science/article/pii/S0039602815001326",
issn = "0039-6028",
keywords = {DESC0004031, early-career, orgmode, Data sharing },
}
@article{kitchin-2015-examp,
author = {Kitchin, John R.},
title = {Examples of Effective Data Sharing in Scientific Publishing},
journal = {ACS Catalysis},
volume = {5},
number = {6},
pages = {3894-3899},
year = 2015,
doi = {10.1021/acscatal.5b00538},
url = { https://doi.org/10.1021/acscatal.5b00538 },
keywords = {DESC0004031, early-career, orgmode, Data sharing },
eprint = { https://doi.org/10.1021/acscatal.5b00538 },
}
@article{mehta-2014-ident-poten,
author = {Prateek Mehta and Paul A. Salvador and John R. Kitchin},
title = {Identifying Potential BO2 Oxide Polymorphs for Epitaxial
Growth Candidates},
journal = {ACS Appl. Mater. Interfaces},
volume = 6,
number = 5,
pages = {3630-3639},
year = 2014,
doi = {10.1021/am4059149},
url = {https://doi.org/10.1021/am4059149},
keywords = {orgmode, },
eprint = {http://pubs.acs.org/doi/pdf/10.1021/am4059149},
}
@article{miller-2014-simul-temper,
author = {Spencer D. Miller and Vladimir V. Pushkarev and Andrew
J. Gellman and John R. Kitchin},
title = {Simulating Temperature Programmed Desorption of Oxygen on
Pt(111) Using DFT Derived Coverage Dependent Desorption
Barriers},
journal = {Topics in Catalysis},
volume = 57,
number = {1-4},
pages = {106-117},
year = 2014,
doi = {10.1007/s11244-013-0166-3},
url = {https://doi.org/10.1007/s11244-013-0166-3},
keywords = {DESC0004031, early-career, orgmode, },
}
@article{xu-2015-tunin-oxide,
author = {Zhongnan Xu and John R Kitchin},
title = {Tuning Oxide Activity Through Modification of the Crystal and
Electronic Structure: From Strain To Potential Polymorphs},
keywords = {orgmode, },
journal = {Phys. Chem. Chem. Phys.},
volume = {17},
pages = {28943-28949},
year = 2015,
doi = {10.1039/c5cp04840k},
url = {https://doi.org/10.1039/C5CP04840K},
date_added = {Tue Oct 6 09:45:50 2015},
}