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Chen, Han, Krasowski, Matthew, Fitzgerald, George (1993) Density functional pseudopotential studies of molecular geometries, vibrations, and binding energies. The Journal of Chemical Physics, 98 (11). 8710-8717 doi:10.1063/1.464479

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Reference TypeJournal (article/letter/editorial)
TitleDensity functional pseudopotential studies of molecular geometries, vibrations, and binding energies
JournalThe Journal of Chemical Physics
AuthorsChen, HanAuthor
Krasowski, MatthewAuthor
Fitzgerald, GeorgeAuthor
Year1993 (June)Volume98
Issue11
PublisherAIP Publishing
DOIdoi:10.1063/1.464479Search in ResearchGate
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Mindat Ref. ID2201286Long-form Identifiermindat:1:5:2201286:1
GUID0
Full ReferenceChen, Han, Krasowski, Matthew, Fitzgerald, George (1993) Density functional pseudopotential studies of molecular geometries, vibrations, and binding energies. The Journal of Chemical Physics, 98 (11). 8710-8717 doi:10.1063/1.464479
Plain TextChen, Han, Krasowski, Matthew, Fitzgerald, George (1993) Density functional pseudopotential studies of molecular geometries, vibrations, and binding energies. The Journal of Chemical Physics, 98 (11). 8710-8717 doi:10.1063/1.464479
In(1993, June) The Journal of Chemical Physics Vol. 98 (11) AIP Publishing

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Chen, H., Krasowski, M., Fitzgerald, G., Feyereisen, M., Long, X.P., Eades, R.A. (1993) Density functional pseudopotential studies of molecular geometries, vibrations, and binding potentials. Application to metallocarbohedrenes. Journal of Molecular Graphics, 11 (4). 271pp. doi:10.1016/0263-7855(93)80039-t
Komornicki, Andrew, Fitzgerald, George (1993) Molecular gradients and hessians implemented in density functional theory. The Journal of Chemical Physics, 98 (2). 1398-1421 doi:10.1063/1.465054
Andzelm, J., Wimmer, E. (1992) Density functional Gaussian‐type‐orbital approach to molecular geometries, vibrations, and reaction energies. The Journal of Chemical Physics, 96 (2). 1280-1303 doi:10.1063/1.462165
Lee, Chengteh, Fitzgerald, George, Yang, Weitao (1993) Nonlocal density functional calculations: Comparison of two implementation schemes. The Journal of Chemical Physics, 98 (4). 2971-2974 doi:10.1063/1.464125
Lee, Chengteh, Chen, Han, Fitzgerald, George (1994) Structures of the water hexamer using density functional methods. The Journal of Chemical Physics, 101 (5). 4472-4473 doi:10.1063/1.467434
Grein, Friedrich (2009) Coupled cluster and density functional studies on geometries and energies of excited C2v states of ozone. The Journal of Chemical Physics, 130 (12). 124118pp. doi:10.1063/1.3099609
Andzelm, Jan, Kölmel, Christoph, Klamt, Andreas (1995) Incorporation of solvent effects into density functional calculations of molecular energies and geometries. The Journal of Chemical Physics, 103 (21). 9312-9320 doi:10.1063/1.469990
Nafziger, Jonathan, Wu, Qin, Wasserman, Adam (2011) Molecular binding energies from partition density functional theory. The Journal of Chemical Physics, 135 (23). 234101pp. doi:10.1063/1.3667198
Balasubramanian, K., Chung, Young Sir, Glaunsinger, William S. (1993) Geometries and bond energies of PHn and PHn+ (n=1–3). The Journal of Chemical Physics, 98 (11). 8859-8869 doi:10.1063/1.464443
Poshusta, R. D., Matsen, F. A. (1967) Geometries and Binding Energies of Hn+. The Journal of Chemical Physics, 47 (11) 4795-4799 doi:10.1063/1.1701701
Jasien, Paul G., Fitzgerald, George (1990) Molecular dipole moments and polarizabilities from local density functional calculations: Application to DNA base pairs. The Journal of Chemical Physics, 93 (4). 2554-2560 doi:10.1063/1.458894
 
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