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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

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Reference TypeJournal (article/letter/editorial)
TitleRevealing non-covalent interactions in solids: NCI plots revisited
JournalPhysical Chemistry Chemical Physics
AuthorsOtero-de-la-Roza, AlbertoAuthor
Johnson, Erin R.Author
Contreras-García, JuliaAuthor
Year2012Volume14
Issue35
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c2cp41395gSearch in ResearchGate
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Mindat Ref. ID4017712Long-form Identifiermindat:1:5:4017712:6
GUID0
Full ReferenceOtero-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
Plain TextOtero-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
In(2012) Physical Chemistry Chemical Physics Vol. 14 (35) Royal Society of Chemistry (RSC)

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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
Johnson, Erin R., Otero-de-la-Roza, Alberto, Dale, Stephen G., DiLabio, Gino A. (2013) Efficient basis sets for non-covalent interactions in XDM-corrected density-functional theory. The Journal of Chemical Physics, 139 (21). 214109pp. doi:10.1063/1.4832325
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
Otero-de-la-Roza, A., Johnson, Erin R. (2013) Non-covalent interactions and thermochemistry using XDM-corrected hybrid and range-separated hybrid density functionals. The Journal of Chemical Physics, 138 (20). 204109pp. doi:10.1063/1.4807330
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
Christian, Matthew S., Whittleton, Sarah R., Otero-de-la-Roza, Alberto, Johnson, Erin R. (2015) Chemical bonding and surface interactions in Bi2Se3 and Bi4Se3. Computational and Theoretical Chemistry, 1053. 238-244 doi:10.1016/j.comptc.2014.09.023
DiLabio, Gino A., Johnson, Erin R., Otero-de-la-Roza, Alberto (2013) Performance of conventional and dispersion-corrected density-functional theory methods for hydrogen bonding interaction energies. Physical Chemistry Chemical Physics, 15 (31). 12821pp. doi:10.1039/c3cp51559a
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
Otero-de-la-Roza, A., LeBlanc, Luc M., Johnson, Erin R. (2020) What is “many-body” dispersion and should I worry about it?. Physical Chemistry Chemical Physics, 22 (16) 8266-8276 doi:10.1039/d0cp01213k
Price, Alastair J. A., Otero-de-la-Roza, Alberto, Johnson, Erin R. (2023) XDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal lattice energies with unprecedented accuracy. Chemical Science, 14 (5) 1252-1262 doi:10.1039/d2sc05997e
Otero-de-la-Roza, A., Johnson, Erin R. (2013) Many-body dispersion interactions from the exchange-hole dipole moment model. The Journal of Chemical Physics, 138 (5). 54103pp. doi:10.1063/1.4789421
 
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