Correction: CO2 induced phase transitions in diamine-appended metal–organic frameworks
Abstract
Correction for ‘CO2 induced phase transitions in diamine-appended metal–organic frameworks’ by Bess Vlaisavljevichet al.,Chem. Sci., 2015,6, 5177–5185. The authors regret that there are some discrepancies reproducing the data in the original article due to the determined coordinates not being the fully optimised geometries. The authors have provided more information.
- Authors:
-
- Univ. of California, Berkeley, CA (United States)
- Univ. of California, Berkeley, CA (United States); Norwegian Univ. of Science and Technology, Trondheim (Norway)
- Univ. of Minnesota, Minneapolis, MN (United States). Chemical Theory Center and Supercomputing Inst.
- Molecular Foundry; Lawrence Berkeley National Laboratory; Berkeley; USA; Department of Physics
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry; Univ. of California, Berkeley, CA (United States); Kavli Energy NanoSciences Inst. at Berkeley, Berkeley, CA (United States)
- Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry; Univ. of California, Berkeley, CA (United States); Kavli Energy NanoSciences Institute at Berkeley, Berkeley, CA (United States); Ecole Polytechnique Federale Lausanne (Switzlerland). Inst. des Sciences et Ingénierie Chimiques, Valais
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1615282
- Grant/Contract Number:
- AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Chemical Science
- Additional Journal Information:
- Journal Volume: 10; Journal Issue: 35; Journal ID: ISSN 2041-6520
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Vlaisavljevich, Bess, Schnell, Sondre K., Dzubak, Allison L., Lee, Kyuho, Planas, Nora, Neaton, Jeffrey B., Gagliardi, Laura, and Smit, Berend. Correction: CO2 induced phase transitions in diamine-appended metal–organic frameworks. United States: N. p., 2019.
Web. doi:10.1039/c9sc90137j.
Vlaisavljevich, Bess, Schnell, Sondre K., Dzubak, Allison L., Lee, Kyuho, Planas, Nora, Neaton, Jeffrey B., Gagliardi, Laura, & Smit, Berend. Correction: CO2 induced phase transitions in diamine-appended metal–organic frameworks. United States. https://doi.org/10.1039/c9sc90137j
Vlaisavljevich, Bess, Schnell, Sondre K., Dzubak, Allison L., Lee, Kyuho, Planas, Nora, Neaton, Jeffrey B., Gagliardi, Laura, and Smit, Berend. Mon .
"Correction: CO2 induced phase transitions in diamine-appended metal–organic frameworks". United States. https://doi.org/10.1039/c9sc90137j. https://www.osti.gov/servlets/purl/1615282.
@article{osti_1615282,
title = {Correction: CO2 induced phase transitions in diamine-appended metal–organic frameworks},
author = {Vlaisavljevich, Bess and Schnell, Sondre K. and Dzubak, Allison L. and Lee, Kyuho and Planas, Nora and Neaton, Jeffrey B. and Gagliardi, Laura and Smit, Berend},
abstractNote = {Correction for ‘CO2 induced phase transitions in diamine-appended metal–organic frameworks’ by Bess Vlaisavljevichet al.,Chem. Sci., 2015,6, 5177–5185. The authors regret that there are some discrepancies reproducing the data in the original article due to the determined coordinates not being the fully optimised geometries. The authors have provided more information.},
doi = {10.1039/c9sc90137j},
journal = {Chemical Science},
number = 35,
volume = 10,
place = {United States},
year = {Mon Sep 02 00:00:00 EDT 2019},
month = {Mon Sep 02 00:00:00 EDT 2019}
}
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Figures / Tables:
Fig. 1: Plot of the original chain model ΔE + ZPE in kJ mol -1 in comparison with the corrected numbers for the same model. Also included is our previously unpublished “alternative chain model” and data from Lee et al. who employed the vdW-DF2 functional. Note that Lee et al.more »
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Works referenced in this record:
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Oxidation energies of transition metal oxides within the framework
journal, May 2006
- Wang, Lei; Maxisch, Thomas; Ceder, Gerbrand
- Physical Review B, Vol. 73, Issue 19
Enhancement of CO 2 binding and mechanical properties upon diamine functionalization of M 2 (dobpdc) metal–organic frameworks
journal, January 2018
- Lee, Jung-Hoon; Siegelman, Rebecca L.; Maserati, Lorenzo
- Chemical Science, Vol. 9, Issue 23
Application of a High-Throughput Analyzer in Evaluating Solid Adsorbents for Post-Combustion Carbon Capture via Multicomponent Adsorption of CO 2 , N 2 , and H 2 O
journal, April 2015
- Mason, Jarad A.; McDonald, Thomas M.; Bae, Tae-Hyun
- Journal of the American Chemical Society, Vol. 137, Issue 14
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Phonons and related crystal properties from density-functional perturbation theory
journal, July 2001
- Baroni, Stefano; de Gironcoli, Stefano; Dal Corso, Andrea
- Reviews of Modern Physics, Vol. 73, Issue 2
Figures / Tables found in this record:
Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.