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Research Publications  

34. Rational optimization of the Whelk-O1 chiral stationary phase using Molecular Dynamics simulations, Chunfeng Zhao and N. M. Cann, J. of Chromat. A 1216, 5968-5978(2009).

33. A molecular dynamics study of chirality transfer from chiral surfaces to nearby solvent, Shihao Wang and N. M. Cann, J. Chem. Phys. 130, 244701 (2009).

32. A molecular dynamics study of chirality transfer: The impact of a chiral solute on an achiral solvent, S. Wang, N. M. Cann, J. Chem. Phys. 129, 54507-54521(2008).

31. The solvation of phenylglycine- and leucine-derived chiral stationary phases: A molecular dynamics simulation study, S. Nita, N. M. Cann, J. Phys. Chem. B, 112, 13022-13037(2008).

30. A molecular dynamics study of chiral recognition for the Whelk-O1 chiral stationary phase, C. Zhao, N. M. Cann, Analytical Chem., 80, 2426-2438(2008).

29. Polarizable and flexible model for ethanol, S. Wang, N. M. Cann, J. Chem. Phys., 126, 214502-1 - 214502-23(2007).

28. The docking of chiral epoxides on the Whelk-O1 stationary phase: A molecular dynamics study, C. Zhao, N. M. Cann, J. Chromat. A, 1149, 197-218(2007).

27. Solvation of the Whelk-O1 chiral stationary phase: A molecular dynamics study, C. Zhao, N. M. Cann, J. Chromat. A, 1131, 110-129(2006).

26. Solvation of the N-(1-phenylethyl)-N '-[3-(triethoxysilyl)propyl]-urea chiral stationary phase in mixed alcohol/water solvents, S. Nita, J. H. Horton, N. M. Cann, J. Phys. Chem. B, 110, 9511-9519(2006).

25. Discrimination in isotropic, nematic, and smectic phases of chiral calamitic molecules: A computer simulation study, Y. Huh, N. M. Cann. J. Chem. Phys., 121, 10299-10308(2004).

24. Evaluation of site-site bridge diagrams for molecular fluids, J. Vatamanu, N. M. Cann. J. Chem. Phys., 121, 6922-6934 (2004).

23. The impact of multipolar interactions on chiral discrimination in racemates, I. Paci, N. M. Cann. J. Chem. Phys., 120, 4816-4828(2004).

22. Structure, selectivity, and solvation of a model chiral stationary phase, S. Nita, N. M. Cann, J. H. Horton. J. Phys. Chem. B, 108, 3512-3522(2004).

21. Discrimination in racemates of small chiral molecules, J. Vatamanu, E. Cressman, N. M. Cann, Mol. Phys., 101, 3085-3102(2003).

20. Integral equation theories for orientationally ordered fluids, I. Paci, N. M. Cann, J. Chem. Phys., 119, 2638-2657(2003).

19. On the role of achiral interactions on chiral discrimination in racemates, I. Paci, J. Dunford, N. M. Cann, J. Chem. Phys., 118, 7519-7533(2003).

18. Generalized oscillator strengths for electronic excitation from the 21S and 23S metastable states of the helium atom, N. M. Cann, A. J. Thakkar, J. Electron Spectrosc., 129, 9(2003).

17. Quadrupole oscillator strengths for the helium isoelectronic sequence: n1S-m1D, n3S-m3D, n1P-m1P, n3P-m3P transitions with n ≤ 7 and m ≤ 7, N. M. Cann, A. J. Thakkar, J. Phys. B., 35, 421-435(2002).

16. First Born differential cross-sections for electronic excitation in the helium atom, N. M. Cann, A. J. Thakkar, J. Electron Spect. and Rel. Phen., 123, 143-159(2002).

15. The impact of molecular shape and polarity on chiral discrimination, I. Paci, N. M. Cann, J. Chem. Phys., 115, 8489-8505(2001).

14. Racemic fluids of hard molecules, J. Vatamanu, N. M. Cann, J. Chem. Phys., 114, 7993-8007(2001).

13. Structure and discrimination in chiral fluids: A molecular dynamics and integral equation study, N. M. Cann, B. Das, J. Chem. Phys., 113, 2369-2384(2000).

12. On the improvement of integral equation theories for mixtures, N. M. Cann, J. Chem. Phys., 110, 11466-11483(1999).

11. An investigation of the influence of solute size and insertion conditions on solvation thermodynamics, N. M. Cann, G. N. Patey, J. Chem. Phys., 106, 8165-8195(1997).

10. Structure of the metal-aqueous electrolyte solution interface, D. R. Berard, M. Kinoshita, N. M. Cann, G. N. Patey, J. Chem. Phys., 107, 4719-4729(1997).

9. Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules, T. N. Olney, N. M. Cann, G. Cooper, C. E. Brion, Chem. Phys., 223, 59-98(1997).

8. Electron momentum spectroscopy of H2 and D2: Ionization to ground and excited ion states, N. Lermer, B. R. Todd, N. M. Cann, C. E. Brion, Z. Yang, E. R. Davidson, Phys. Rev. A, 56, 1393-1401(1997).

7. Electron momentum spectroscopy experiments and calculations for the production of excited states of He+ and H2+, N. Lermer, B. R. Todd, N. M. Cann, C. E. Brion, Y. Zheng, S. Chakravorty, E. R. Davidson, Can. J. Phys., 74, 748-756(1996).

6. EMS studies of larger molecules of chemical and biochemical interest, J. J. Neville,Y. Zheng, B. P. Hollebone, N. M. Cann, C. E. Brion, Can. J. Phys., 74,773-781(1996).

5. Momentum profiles for open-shell molecules: Studies of the HOMOs of NO, O2, and NO2 by electron momentum spectroscopy and SCF, MRSD-CI, ACPF and DFT calculations, J. Rolke, N. M. Cann, Y. Zheng, B. P. Hollebone, C. E. Brion, E. R. Davidson, Chem. Phys., 201, 1-21(1995).

4. Electron correlation effects in the Rydberg-like 33D and 31D states of helium-like ions, N. M. Cann, R. J. Boyd, A. J. Thakkar, Int. J. Quantum Chem., 48, 1-14(1995).

3. Charge and intracule densities in singly excited helium-like ions, N. M. Cann, R. J. Boyd, A. J. Thakkar, J. Chem. Phys., 98, 7132-7139(1993).

2. Statistical electron correlation coefficients for 29 states of the helium-like ions, N. M. Cann, A. J. Thakkar, R. J. Boyd, Int. J. Quantum Chem.: Quantum Chem. Symp., 27, 33-42(1993).

1. Oscillator strengths for S-P and P-D transitions in the helium-like ions, N. M. Cann, A. J. Thakkar, Phys. Rev. A, 46, 5397-5405(1992).