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Otero-de-la-Roza, A., Johnson, Erin R., Luaña, Víctor (2014) Critic2: A program for real-space analysis of quantum chemical interactions in solids. Computer Physics Communications, 185. 1007-1018 doi:10.1016/j.cpc.2013.10.026

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Reference TypeJournal (article/letter/editorial)
TitleCritic2: A program for real-space analysis of quantum chemical interactions in solids
JournalComputer Physics Communications
AuthorsOtero-de-la-Roza, A.Author
Johnson, Erin R.Author
Luaña, VíctorAuthor
Year2014 (March)Volume185
PublisherElsevier BV
DOIdoi:10.1016/j.cpc.2013.10.026Search in ResearchGate
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Mindat Ref. ID6600870Long-form Identifiermindat:1:5:6600870:1
GUID0
Full ReferenceOtero-de-la-Roza, A., Johnson, Erin R., Luaña, Víctor (2014) Critic2: A program for real-space analysis of quantum chemical interactions in solids. Computer Physics Communications, 185. 1007-1018 doi:10.1016/j.cpc.2013.10.026
Plain TextOtero-de-la-Roza, A., Johnson, Erin R., Luaña, Víctor (2014) Critic2: A program for real-space analysis of quantum chemical interactions in solids. Computer Physics Communications, 185. 1007-1018 doi:10.1016/j.cpc.2013.10.026
In(n.d.) Computer Physics Communications Vol. 185. Elsevier BV

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Otero-de-la-Roza, A., Blanco, M.A., Pendás, A. Martín, Luaña, Víctor (2009) Critic: a new program for the topological analysis of solid-state electron densities. Computer Physics Communications, 180. 157-166 doi:10.1016/j.cpc.2008.07.018
Otero de la Roza, A., Luaña, Víctor (2009) Runwien: a text-based interface for the WIEN package. Computer Physics Communications, 180. 800-812 doi:10.1016/j.cpc.2008.11.024
Otero-de-la-Roza, A., Luaña, Víctor (2011) Gibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data. Computer Physics Communications, 182. 1708-1720 doi:10.1016/j.cpc.2011.04.016
Otero-de-la-Roza, A., Johnson, Erin R. (2012) A benchmark for non-covalent interactions in solids. The Journal of Chemical Physics, 137 (5). 54103pp. doi:10.1063/1.4738961
Otero-de-la-Roza, A., Abbasi-Pérez, David, Luaña, Víctor (2011) Gibbs2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation. Computer Physics Communications, 182. 2232-2248 doi:10.1016/j.cpc.2011.05.009
Otero-de-la-Roza, A., Luaña, Víctor (2011) A fast and accurate algorithm for QTAIM integration in solids. Journal of Computational Chemistry, 32 (2). 291-305 doi:10.1002/jcc.21620
Otero-de-la-Roza, A., Johnson, Erin R. (2012) Van der Waals interactions in solids using the exchange-hole dipole moment model. The Journal of Chemical Physics, 136 (17). 174109pp. doi:10.1063/1.4705760
Zukerman-Schpector, Julio, Otero-de-la-Roza, Alberto, Luaña, Víctor, Tiekink, Edward R. T. (2011) Supramolecular architectures based on As(lone pair)⋯π(aryl) interactions. Chemical Communications, 47 (27). 7608pp. doi:10.1039/c1cc11412c
Otero-de-la-Roza, Alberto, Johnson, Erin R., Contreras-García, Julia (2012) Revealing non-covalent interactions in solids: NCI plots revisited. Physical Chemistry Chemical Physics, 14 (35). 12165pp. doi:10.1039/c2cp41395g
Otero-de-la-Roza, A., Luaña, Víctor (2011) Equations of state and thermodynamics of solids using empirical corrections in the quasiharmonic approximation. Physical Review B, 84 (18) doi:10.1103/physrevb.84.184103
Otero-de-la-Roza, Alberto, Mallory, Joel D., Johnson, Erin R. (2014) Metallophilic interactions from dispersion-corrected density-functional theory. The Journal of Chemical Physics, 140 (18). 18pp. doi:10.1063/1.4862896
 
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