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Yim, Wai-Leung, Klüner, Thorsten (2008) Atoms-in-molecules analysis for planewave DFT calculations—A numerical approach on a successively interpolated charge density grid. Journal of Computational Chemistry, 29 (8). 1306-1315 doi:10.1002/jcc.20889

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Reference TypeJournal (article/letter/editorial)
TitleAtoms-in-molecules analysis for planewave DFT calculations—A numerical approach on a successively interpolated charge density grid
JournalJournal of Computational Chemistry
AuthorsYim, Wai-LeungAuthor
Klüner, ThorstenAuthor
Year2008 (June)Volume29
Issue8
PublisherWiley
DOIdoi:10.1002/jcc.20889Search in ResearchGate
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Mindat Ref. ID3149304Long-form Identifiermindat:1:5:3149304:0
GUID0
Full ReferenceYim, Wai-Leung, Klüner, Thorsten (2008) Atoms-in-molecules analysis for planewave DFT calculations—A numerical approach on a successively interpolated charge density grid. Journal of Computational Chemistry, 29 (8). 1306-1315 doi:10.1002/jcc.20889
Plain TextYim, Wai-Leung, Klüner, Thorsten (2008) Atoms-in-molecules analysis for planewave DFT calculations—A numerical approach on a successively interpolated charge density grid. Journal of Computational Chemistry, 29 (8). 1306-1315 doi:10.1002/jcc.20889
In(2008, June) Journal of Computational Chemistry Vol. 29 (8) Wiley

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Yim, Wai-Leung, Klüner, Thorsten (2011) Lattice Stability of Si[100] Wires From First Principles. The Journal of Physical Chemistry C, 115 (8). 3286-3290 doi:10.1021/jp110500d
Wang, Hao-Yang, Yim, Wai-Leung, Klüner, Thorsten, Metzger, Jürgen O. (2009) ESIMS Studies and Calculations on Alkali-Metal Adduct Ions of Ruthenium Olefin Metathesis Catalysts and Their Catalytic Activity in Metathesis Reactions. Chemistry - A European Journal, 15 (41). 10948-10959 doi:10.1002/chem.200900565
Yim, Wai-Leung, Klüner, Thorsten (2013) Substrate Mediated Short- and Long-Range Adsorption Patterns of CO on Ag(110). Physical Review Letters, 110 (19). doi:10.1103/physrevlett.110.196101
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Yim, Wai-Leung, Klüner, Thorsten (2010) Understanding of Adsorption and Catalytic Properties of Bimetallic Pt−Co Alloy Surfaces from First Principles: Insight from Disordered Alloy Surfaces. The Journal of Physical Chemistry C, 114 (15). 7141-7152 doi:10.1021/jp101602b
Camiletti, G. G., Machado, S. F., Jorge, F. E. (2008) Gaussian basis set of double zeta quality for atoms K through Kr: Application in DFT calculations of molecular properties. Journal of Computational Chemistry, 29 (14). 2434-2444 doi:10.1002/jcc.20996
Ehara, Masahiro, Fukuda, Ryoichi, Adamo, Carlo, Ciofini, Ilaria (2013) Chemically intuitive indices for charge-transfer excitation based on SAC-CI and TD-DFT calculations. Journal of Computational Chemistry, 34 (29). 2498-2501 doi:10.1002/jcc.23423
Iori, F., Corni, S. (2008) Including image charge effects in the molecular dynamics simulations of molecules on metal surfaces. Journal of Computational Chemistry, 29 (10). 1656-1666 doi:10.1002/jcc.20928
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