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Dronskowski, Richard, Bloechl, Peter E. (1993) Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations. The Journal of Physical Chemistry, 97 (33). 8617-8624 doi:10.1021/j100135a014

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Reference TypeJournal (article/letter/editorial)
TitleCrystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations
JournalThe Journal of Physical Chemistry
AuthorsDronskowski, RichardAuthor
Bloechl, Peter E.Author
Year1993 (August)Volume97
Issue33
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/j100135a014Search in ResearchGate
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Mindat Ref. ID8029042Long-form Identifiermindat:1:5:8029042:3
GUID0
Full ReferenceDronskowski, Richard, Bloechl, Peter E. (1993) Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations. The Journal of Physical Chemistry, 97 (33). 8617-8624 doi:10.1021/j100135a014
Plain TextDronskowski, Richard, Bloechl, Peter E. (1993) Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations. The Journal of Physical Chemistry, 97 (33). 8617-8624 doi:10.1021/j100135a014
In(1993, August) The Journal of Physical Chemistry Vol. 97 (33) American Chemical Society (ACS)

See Also

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Steinberg, Simon, Dronskowski, Richard (2018) The Crystal Orbital Hamilton Population (COHP) Method as a Tool to Visualize and Analyze Chemical Bonding in Intermetallic Compounds. Crystals, 8 (5) 225 doi:10.3390/cryst8050225
Deringer, Volker L., Tchougréeff, Andrei L., Dronskowski, Richard (2011) Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets. The Journal of Physical Chemistry A, 115 (21). 5461-5466 doi:10.1021/jp202489s
Müller, Peter C.; Reitz, Linda S.; Hemker, David; Dronskowski, Richard (2025) Orbital-based bonding analysis in solids. Chemical Science, 16 (27). doi:10.1039/d5sc02936h
Müller, Peter C., Ertural, Christina, Hempelmann, Jan, Dronskowski, Richard (2021) Crystal Orbital Bond Index: Covalent Bond Orders in Solids. The Journal of Physical Chemistry C, 125 (14) 7959-7970 doi:10.1021/acs.jpcc.1c00718
Seo, Dong-Kyun, Weng, Chang’e (2008) Orbital Interpretation of Kinetic Energy Density and a Direct Space Comparison of Chemical Bonding in Tetrahedral Network Solids. The Journal of Physical Chemistry A, 112 (33). 7705-7716 doi:10.1021/jp803279e
Tran, Fabien, Blaha, Peter (2017) Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory. The Journal of Physical Chemistry A, 121 (17). 3318-3325 doi:10.1021/acs.jpca.7b02882
Dronskowski, Richard (1994) Chemical Bonding of the Binary Indium Bromides. Inorganic Chemistry, 33 (26) 6201-6212 doi:10.1021/ic00104a034
Nelson, Ryky, Ertural, Christina, George, Janine, Deringer, Volker L., Hautier, Geoffroy, Dronskowski, Richard (2020) LOBSTER : Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory. Journal of Computational Chemistry, 41 (21) 1931-1940 doi:10.1002/jcc.26353
Deringer, Volker L., Dronskowski, Richard (2013) Stabilities and Reconstructions of PbTe Crystal Surfaces from Density-Functional Theory. The Journal of Physical Chemistry C, 117 (46). 24455-24461 doi:10.1021/jp408699a
Margl, Peter, Ziegler, Tom, Bloechl, Peter E. (1995) Reaction of Methane with Rh(PH3)2Cl: A Dynamical Density Functional Study. Journal Of The American Chemical Society, 117 (50) 12625-12634 doi:10.1021/ja00155a027
Yang, Qingyun, Osgood, Richard M. (1993) Energy-resolved studies of photochemistry on semiconductor surfaces. The Journal of Physical Chemistry, 97 (35). 8855-8863 doi:10.1021/j100137a007
 
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