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Laasonen, Kari, Klein, Michael L. (1994) Structural Study of (H2O)20 and (H2O)21H+ Using Density Functional Methods. The Journal of Physical Chemistry, 98 (40). 10079-10083 doi:10.1021/j100091a022

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Reference TypeJournal (article/letter/editorial)
TitleStructural Study of (H2O)20 and (H2O)21H+ Using Density Functional Methods
JournalThe Journal of Physical Chemistry
AuthorsLaasonen, KariAuthor
Klein, Michael L.Author
Year1994 (October)Volume98
Issue40
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/j100091a022Search in ResearchGate
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Mindat Ref. ID8032964Long-form Identifiermindat:1:5:8032964:6
GUID0
Full ReferenceLaasonen, Kari, Klein, Michael L. (1994) Structural Study of (H2O)20 and (H2O)21H+ Using Density Functional Methods. The Journal of Physical Chemistry, 98 (40). 10079-10083 doi:10.1021/j100091a022
Plain TextLaasonen, Kari, Klein, Michael L. (1994) Structural Study of (H2O)20 and (H2O)21H+ Using Density Functional Methods. The Journal of Physical Chemistry, 98 (40). 10079-10083 doi:10.1021/j100091a022
In(1994, October) The Journal of Physical Chemistry Vol. 98 (40) American Chemical Society (ACS)

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Laasonen, Kari E., Klein, Michael L. (1997) AbInitioStudy of Aqueous Hydrochloric Acid. The Journal of Physical Chemistry A, 101 (1). 98-102 doi:10.1021/jp962513r
Rƶthlisberger, Ursula, Laasonen, Kari, Klein, Michael L., Sprik, Michiel (1996) The torsional potential of perfluoronā€alkanes: A density functional study. The Journal of Chemical Physics, 104 (10). 3692-3700 doi:10.1063/1.471023
SillanpƤƤ, Atte J., Simon, Christian, Klein, Michael L., Laasonen, Kari (2002) Structural and Spectral Properties of Aqueous Hydrogen Fluoride Studied Using ab Initio Molecular Dynamics. The Journal of Physical Chemistry B, 106 (43). 11315-11322 doi:10.1021/jp0260088
Laasonen, Kari, Klein, Michael L. (1994) Ab Initio Molecular Dynamics Study of Hydrochloric Acid in Water. Journal Of The American Chemical Society, 116 (25) 11620-11621 doi:10.1021/ja00104a073
Pesonen, Henna, Aksela, Reijo, Laasonen, Kari (2010) Density Functional Complexation Study of Metal Ions with Cysteine. The Journal of Physical Chemistry A, 114 (1). 466-473 doi:10.1021/jp905733d
Dobbs, Kerwin D., Dixon, David A. (1994) Prediction of Infrared Intensities by Using Density Functional Theory. Applications to H2O, HOO, CH4, and C2H4. The Journal of Physical Chemistry, 98 (17). 4498-4501 doi:10.1021/j100068a004
SillanpƤƤ, Atte J., Laasonen, Kari E. (2001) Density Functional Study of a d2-C5H5Nb(butadiene)R+Ethene Polymerization Catalyst. Organometallics, 20. 1334-1344 doi:10.1021/om0010924
Weckman, Timo, Laasonen, Kari (2015) First principles study of the atomic layer deposition of alumina by TMAā€“H2O-process. Physical Chemistry Chemical Physics, 17 (26). 17322-17334 doi:10.1039/c5cp01912e
Hashemi, Arsalan, Peljo, Pekka, Laasonen, Kari (2023) Understanding Electron Transfer Reactions Using Constrained Density Functional Theory: Complications Due to Surface Interactions. The Journal of Physical Chemistry C, 127 (7) 3398-3407 doi:10.1021/acs.jpcc.2c06537
Saukkoriipi, Jaakko J., Laasonen, Kari (2008) Density Functional Studies of the Hydrolysis of Aluminum (Chloro)Hydroxide in Water with CPMD and COSMO. The Journal of Physical Chemistry A, 112 (43). 10873-10880 doi:10.1021/jp804176v
Mahdian, Amir; Hashemi, Arsalan; Laasonen, Kari (2025) Understanding electrochemical reactions using density functional theory: the bridging theoretical scheme of squares and experimental cyclic voltammetry. Physical Chemistry Chemical Physics, 27 (27). doi:10.1039/d5cp01464f
 
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