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[O] org in the wild update

From: John Kitchin
Subject: [O] org in the wild update
Date: Thu, 6 Feb 2014 16:45:04 -0500

Hi everyone,

Our fourth scientific paper that was prepared with org-mode has been accepted!  Each of these files has freely available supporting information files created from org-mode with the org-source embedded in them. At the end of these files are the directions for how we exported the pdf file out of them. It has been pretty fun writing these papers, and we are at a point now where all new papers are written this way in my group. Below are some of the (org-relevant) features in each paper. Anyway, I want to thank everyone who contributes to org-mode development. It has fundamentally changed how we write our papers. Best wishes,

1. This paper has an embedded json file that contains all the data in the paper and the details of the calculations we did.

Mehta, Prateek; Salvador, Paul; Kitchin, John, Identifying Potential BO2 Oxide Polymorphs for Epitaxial Growth Candidates", ACS Applied Materials and Interfaces, accepted 1/27/2014. http://pubs.acs.org/doi/full/10.1021/am4059149.


2. In this SI, there are tables in the embedded org-file that were used for analysis, but not printed in the SI file because they were too long.

Spencer D. Miller, Vladimir V. Pushkarev, Andrew J. Gellman and John R. Kitchin, Simulating Temperature Programmed Desorption of Oxygen on Pt(111) Using DFT Derived Coverage Dependent Desorption Barriers, Topics In Catalysis, 57(1), 106-117 (2013). http://link.springer.com/article/10.1007%2Fs11244-013-0166-3

3. this paper contains the code developed for running these calculations.

Zhongnan Xu and John R Kitchin, Relating the Electronic Structure and Reactivity of the 3d Transition Metal Monoxide Surfaces, Catalysis Communications, Accepted Oct 2013. http://dx.doi.org/10.1016/j.catcom.2013.10.028


4. This paper has embedded Excel sheets in the SI, which contain data used in the paper.

Alex Hallenbeck and John R. Kitchin, Effects of O2 and SO2 on the Capture Capacity of a Primary-Amine Based Polymeric CO2 Sorbent, I&ECR, 52 (31), 10788-10794 (2013). http://dx.doi.org/10.1021/ie400582a.


John Kitchin
Associate Professor
Doherty Hall A207F
Department of Chemical Engineering
Carnegie Mellon University
Pittsburgh, PA 15213

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