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Smith, Alice M., Klemperer, William, Lehmann, Kevin K. (1991) On the fallibility of variational calculations:Abinitioversus empirical potential energy functions for HCN. The Journal of Chemical Physics, 94 (7). 5040-5050 doi:10.1063/1.460539

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Reference TypeJournal (article/letter/editorial)
TitleOn the fallibility of variational calculations:Abinitioversus empirical potential energy functions for HCN
JournalThe Journal of Chemical Physics
AuthorsSmith, Alice M.Author
Klemperer, WilliamAuthor
Lehmann, Kevin K.Author
Year1991 (April)Volume94
Issue7
PublisherAIP Publishing
DOIdoi:10.1063/1.460539Search in ResearchGate
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Mindat Ref. ID2190147Long-form Identifiermindat:1:5:2190147:0
GUID0
Full ReferenceSmith, Alice M., Klemperer, William, Lehmann, Kevin K. (1991) On the fallibility of variational calculations:Abinitioversus empirical potential energy functions for HCN. The Journal of Chemical Physics, 94 (7). 5040-5050 doi:10.1063/1.460539
Plain TextSmith, Alice M., Klemperer, William, Lehmann, Kevin K. (1991) On the fallibility of variational calculations:Abinitioversus empirical potential energy functions for HCN. The Journal of Chemical Physics, 94 (7). 5040-5050 doi:10.1063/1.460539
In(1991, April) The Journal of Chemical Physics Vol. 94 (7) AIP Publishing

See Also

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Smith, Alice M., Klemperer, William, Lehmann, Kevin K. (1989) The intensity of the 105–000 transition of HCN. The Journal of Chemical Physics, 90 (8). 4633-4634 doi:10.1063/1.456606
Smith, Alice M., Lehmann, Kevin K., Klemperer, William (1986) The intensity and self‐broadening of overtone transitions in HCN. The Journal of Chemical Physics, 85 (9). 4958-4965 doi:10.1063/1.451734
Lehmann, Kevin K., Scherer, George J., Klemperer, William (1982) Classical chaos and quantum simplicity: Highly excited vibrational states of HCN. The Journal of Chemical Physics, 77 (6) 2853-2861 doi:10.1063/1.444178
Dodd, James A., Smith, Alice M., Klemperer, William (1988) Dipole moments of highly excited vibrational states of HCN. The Journal of Chemical Physics, 88 (1). 15-19 doi:10.1063/1.454648
Smith, Alice M., Jo/rgensen, Uffe G., Lehmann, Kevin K. (1987) The intensities of HCN overtone transitions from 12 600–18 400 cm−1. The Journal of Chemical Physics, 87 (10). 5649-5656 doi:10.1063/1.453538
Lehmann, Kevin K., Scherer, George J., Klemperer, W. (1983) Variational calculation of the rotational constants for acetylene and its isotopic derivatives. The Journal of Chemical Physics, 79 (3) 1369-1376 doi:10.1063/1.445893
Lehmann, Kevin K., Smith, Alice M. (1990) Where does overtone intensity come from?. The Journal of Chemical Physics, 93 (9). 6140-6147 doi:10.1063/1.458985
Yaron, David, Klemperer, William (1991) Model calculations on the ground vibrational state of Ar–HCN. The Journal of Chemical Physics, 95 (3). 1907-1919 doi:10.1063/1.461040
Lehmann, K. K., Scherer, G. J., Klemperer, W. (1982) Highly excited HCN: The inapplicability of classical dynamics. The Journal of Chemical Physics, 76 (12) 6441-6442 doi:10.1063/1.443002
Lehmann, K. K., Scherer, G. J., Klemperer, W. (1983) Response to ‘Highly excited states of HCN: The probable applicability of classical dynamics’. The Journal of Chemical Physics, 78 (1) 608-609 doi:10.1063/1.444497
Tao, Fu‐Ming, Klemperer, William (1995) Ab initio potential energy surface for the HCl dimer. The Journal of Chemical Physics, 103 (3). 950-956 doi:10.1063/1.469795
 
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