Publisher: Elsevier

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Volume 53, Number 8, 30 July 1997

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The potential energy surface and vibrational-rotational energy levels of HCP
pp. 1091-1100(10)
Authors: Koput, J.; Carter, S.

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Vibrational energy levels of water
pp. 1101-1122(22)
Authors: Csaszar, A.G.; Mills, I.M.

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The anharmonic force field of chlorofluoromethane
pp. 1123-1131(9)
Authors: Puzzarini, C.; Tarroni, R.; Palmieri, P.

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Bound rovibronic levels of the HeN2+ (A2Π) complex
pp. 1133-1138(6)
Authors: Schmelz, T.; Rosmus, P.; Berning, A.; Werner, H.J.

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On the refinement of the anharmonic force field of BrNO
pp. 1139-1151(13)
Authors: Palmieri, P.; Puzzarini, C.; Tarroni, R.; Mitrushenkov, A.O.

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Theoretical study of electronically excited cis- and trans-glyoxal
pp. 1153-1162(10)
Authors: Stanton, J.F.; Gauss, J.

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Anharmonic constants for benzene
pp. 1169-1177(9)
Authors: Handy, N.C.; Willetts, A.

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Ab initio calculations of force fields for H2CN and ClHCN and vibrational energies of H2CN
pp. 1179-1188(10)
Authors: Carter, S.; Bowman, J.M.; Harding, L.B.

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Scaled quantum mechanical and experimental vibrational spectra of magnesium and zinc porphyrins
pp. 1195-1209(15)
Authors: Jarzecki, A.A.; Kozlowski, P.M.; Pulay, P.; Ye, B.; Li, X.

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Polymer force fields from ab initio studies of small model molecules: can we achieve chemical accuracy?
pp. 1273-1283(11)
Authors: Smith, G.D.; Borodin, O.; Pekny, M.; Annis, B.; Londono, D.; Jaffe, R.L.

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Limitations of ab initio molecular dynamics simulations of simple reactions: F + H2 as a prototype
pp. 1285-1299(15)
Authors: da Silva, A.J.R.; Cheng, H.; Gibson, D.A.; Sorge, K.L.; Liu, Z.; Carter, E.A.

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Quantum chemistry based force fields for soft matter
pp. 1325-1346(22)
Authors: Glaser, M.A.; Clark, N.A.; Garcia, E.; Walba, D.M.

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Ab initio derived spectroscopic quality force fields for molecular modeling and dynamics
pp. 1347-1363(17)
Authors: Dasgupta, S.; Brameld, K.A.; Fan, C.; Goddard, W.A.

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