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Kim, K., Jordan, K. D. (1994) Comparison of Density Functional and MP2 Calculations on the Water Monomer and Dimer. The Journal of Physical Chemistry, 98 (40). 10089-10094 doi:10.1021/j100091a024

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Reference TypeJournal (article/letter/editorial)
TitleComparison of Density Functional and MP2 Calculations on the Water Monomer and Dimer
JournalThe Journal of Physical Chemistry
AuthorsKim, K.Author
Jordan, K. D.Author
Year1994 (October)Volume98
Issue40
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/j100091a024Search in ResearchGate
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Mindat Ref. ID8032968Long-form Identifiermindat:1:5:8032968:2
GUID0
Full ReferenceKim, K., Jordan, K. D. (1994) Comparison of Density Functional and MP2 Calculations on the Water Monomer and Dimer. The Journal of Physical Chemistry, 98 (40). 10089-10094 doi:10.1021/j100091a024
Plain TextKim, K., Jordan, K. D. (1994) Comparison of Density Functional and MP2 Calculations on the Water Monomer and Dimer. The Journal of Physical Chemistry, 98 (40). 10089-10094 doi:10.1021/j100091a024
In(1994, October) The Journal of Physical Chemistry Vol. 98 (40) American Chemical Society (ACS)

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Florian, Jan, Johnson, Benny G. (1994) Comparison and Scaling of Hartree-Fock and Density Functional Harmonic Force Fields. 1. Formamide Monomer. The Journal of Physical Chemistry, 98 (14). 3681-3687 doi:10.1021/j100065a023
Berthomieu, DorothĆ©e, Bacquet, Yannick, Pedocchi, Luca, Goursot, Annick (1998) Trimethylaluminum Dimer Structure and Its Monomer Radical Cation:Ā  A Density Functional Study. The Journal of Physical Chemistry A, 102 (40). 7821-7827 doi:10.1021/jp980148t
Florian, Jan, Johnson, Benny G. (1995) Structure, Energetics, and Force Fields of the Cyclic Formamide Dimer: MP2, Hartree-Fock, and Density Functional Study. The Journal of Physical Chemistry, 99 (16). 5899-5908 doi:10.1021/j100016a026
Ghanty, Tapan K., Ghosh, Swapan K. (1994) Simple Density Functional Approach to Polarizability, Hardness, and Covalent Radius of Atomic Systems. The Journal of Physical Chemistry, 98 (37). 9197-9201 doi:10.1021/j100088a018
Ghanty, Tapan K., Ghosh, Swapan K. (1994) A New Simple Density Functional Approach to Chemical Binding. The Journal of Physical Chemistry, 98 (7). 1840-1843 doi:10.1021/j100058a020
Papai, Imre, Goursot, Annick, Fajula, Francois, Weber, Jacques (1994) Density Functional Calculations on Model Clusters of Zeolite-.beta. The Journal of Physical Chemistry, 98 (17). 4654-4659 doi:10.1021/j100068a028
Jensen, G. M., Goodin, D. B., Bunte, S. W. (1996) Density Functional and MP2 Calculations of Spin Densities of Oxidized 3-Methylindole:Ā  Models for Tryptophan Radicals. The Journal of Physical Chemistry, 100 (3). 954-959 doi:10.1021/jp951795c
Pedulla, J. Marc, Vila, Fernando, Jordan, K. D. (1996) Binding energy of the ring form of (H2O)6: Comparison of the predictions of conventional and localizedā€orbital MP2 calculations. The Journal of Chemical Physics, 105 (24). 11091-11099 doi:10.1063/1.472910
Rak, Janusz, Voityuk, Alexander A., Rƶsch, Notker (1998) Splitting of Cyclobutane-Type Uracil Dimer Cation Radicals. Hartreeāˆ’Fock, MP2, and Density Functional Studies. The Journal of Physical Chemistry A, 102 (36). 7168-7175 doi:10.1021/jp981665e
Zhang, Guozhen, Al-Saidi, W. A., Myshakin, Evgeniy M., Jordan, Kenneth D. (2012) Dispersion-Corrected Density Functional Theory and Classical Force Field Calculations of Water Loading on a Pyrophyllite(001) Surface. The Journal of Physical Chemistry C, 116 (32). 17134-17141 doi:10.1021/jp305801d
 
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