S Ajith D Perera

Publications

• Del Bene J.E., Perera S.A.; Bartlett R.J.; What Parameters Determine N-N and O-O Coupling Constants (2hJX-X) Across X-H+-X Hydrogen Bonds? J Phys Chem A 105 (5) (2001) 930-4.
• Del Bene J.E., Perera S.A.; Bartlett R.J.; Alkorta I; Elguero J.; 4hJ(31P-31P) Coupling Constants through N-H+-N Hydrogen Bonds: A comparison of computed ab initio and experimental data. J Phys Chem A 104 (31) (2000) 7165-6.
• Perera S.A.; Bartlett R.J.; Predicted NMR spin-spin Coupling Constants across Hydrogen Bonds: A Fingerprint For Specifying Hydrogen Bond Type? J Am Chem Soc 122 (14) (2000) 3560-1
• Perera S.A.; Bartlett R.J.; NMR spin-spin Coupling Constants for Hydrogen Bonds {F(HF)_n]^- n=1-4 Clusters, J Am Chem Soc 122 (6) (2000) 1231-2
• Perera S.A.; Bartlett R.J.; Coupled-cluster Calculations of Raman Intensities and their Application to N₄ and N^-₅, Chem. Phys. Letts. 314 (1999), 381
• Del Bene J.E., Perera S.A.; Bartlett R.J.; Hydrogen Bond Types, Binding Energies, and ¹H NMR Chemical Shifts, J. Phys. Chem. A 103 (40) (1999), 8121-4.
• Bartlett, R.J.; Del Bene, J.E.; Perera, S.A.; Mattie, R.P. Ammonia: the prototypical lone pair molecule. Theochem 400 (1997) 157-68
• Rozyczko, P.B.; Perera, S.A.; Nooijen, M.; Bartlett, R.J. Correlated calculations of molecular dynamic polarizabilities. J Chem Phys 107 (17) (1997) 6736-47
• Nooijen, M.; Perera, S.A.; Bartlett, R.J. Partitioned equation-of-motion coupled cluster approach to indirect nuclear spin-spin coupling constants. Chem Phys Lett 266 (5-6) (1997) 456-64
• Perera, S.A.; Salemi, L.M.; Bartlett, R.J. Hyperfine coupling constants of organic radicals. J Chem Phys 106 (10) (1997) 4061-6
• Perera S.A.; Bartlett R.J.; Structure and NMR Spectra of the 2-norbornyl Carbocation: Prediction of ¹J(¹³C¹³C) for the Bridged Pentacoordinate Carbon Atom, J Am Chem Soc 118 (1996) 7849
• Perera, S.A.; Nooijen, M.; Bartlett, R.J. Electron correlation effects on the theoretical calculation of nuclear magnetic resonance spin-spin coupling constants. J Chem Phys 104 (9) (1996) 3290-305
• Perera S.A., Electron Correlation Effects on Nuclear Magnetic Resonance Spin-Spin Coupling Constant Calculations, Ph.D. Dissertation, 1996 University of Florida (microfilm copy available from University Microfilms Inc., 300 North Zeeb Road, Ann Arbor, Michigan 48106-1346).
• Perera S.A.; Bartlett R.J.; Schleyer P.v.R.; Predicted NMR Coupling Constants and Spectra for Ethyl Carbocation: A Fingerprint fot Nonclassical Hydrogen-bridged Structures, J Am Chem Soc 117 (1995) 8476
• Perera S.A.; Sekino H.; Bartlett R.J.; Coupled-Cluster Calculation of Indirect Nuclear Coupling Constants: The Importance of Non-Fermi Contact Contributions, J Chem Phys 101 (1994) 2186
• Perera S.A.; Watts J.D.; Bartlett R.J.; Theoretical Calculation of Hyperfine Coupling Constants, J Chem Phys 100 (1994) 1425
• Perera, S.A.; Bernholdt, D.E.; Bartlett, R.J. Localized Hartree product orbitals in correlated studies of molecules. Int J Quant Chem 49 (5) (1994) 559-73
• Perera, S.A.; Bartlett, R.J. Relativistic effects at the correlated level. An application to interhalogens. Chem Phys Lett 216 (3-6) (1993) 606-12

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