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Laser Spectroscopy & Computational Chemistry publications

  • A Spectroscopic Study of Nicotine Analogue 2-Phenylpyrrolidine (PPD) Using Resonant Two-Photon Ionization (R2PI), Microwave, and 2D NMR Techniques.
    Martin, Danielle E.; Robertson, Evan G.; MacLellan, Jonathan G.; Godfrey, Peter D.; Thompson, Christopher D.; Morrison, Richard J. S, J. Am. Chem. Soc. 131(7),  2638-2646 (2009).
  • Thermodynamically favored anion rearrangements in Li and Na complexes of (S)-N-.alpha.-(methylbenzyl)allylamine.
    Andrews, Philip C.; Koutsaplis, Magdaline; Robertson, Evan G..  Organometallics  28(6), 1697-1704 (2009).
  • Structure determination of sec-butylbenzene rotamers by UV spectroscopy and ab initio calculations.
    Robertson, Evan G.; Martin, Danielle E.; Thompson, Chris D.; Morrison, Richard J. S.; Philis, John G.  Chemical Physics Letters 463(1-3),  29-32 (2008),
  • Coordination and reduction of HMPA in the lithiation of (S)-N-(.alpha.-methylbenzyl)allylamine: crystal structures of {(S)-.alpha.-[PhC(H)CH3](CH2CH=C2)-NLiHMPA}2 and [(Me2N) 2POLi] 6.
    Andrews, Philip C.; Minopoulos, Magdaline; Robertson, Evan G European Journal of Inorganic Chemistry  (30), 4816 (2008)
  • Resonant 2-photon ionization study of the conformation and the binding of water molecules to 2-phenylethanethiol (PhCH2CH2SH).
    Martin, Danielle E.; Robertson, Evan G.; Thompson, Christopher D.; Morrison, Richard J. S.  Journal of Chemical Physics  128(16),  164301/1-164301/11 (2008).
  • Resonant two-photon ionization and ab initio conformational analysis of haloethyl benzenes (PhCH2CH2X,X = Cl,F).
    Martin, Danielle E.; Robertson, Evan G.; Morrison, Richard J. S.; Dobney, Bruce.  Journal of Chemical Physics  127(13),  134307/1-134307/9 (2007).
  • "Conformational Polymorphism in N-(4'-Methoxyphenyl)-3-bromothiobenzamide"
    A. Bashkirava, P. C. Andrews, P. C. Junk, E. G. Robertson, L. Spiccia, N. Vanderhoek, Chem. Asian J., 2(4), 530-538 (2007).
  • "A Conformational Study of Gaseous Benzenepropanenitrile by Resonant 2-Photon Ionisation Spectroscopy", D.E. Martin, E.G. Robertson, R.J.S. Morrison, Chem. Phys. Lett. 425, 210-215 (2006).
  • "Coordination and Reduction of HMPA in the Lithiation of (S)-N-(-α-Methylbenzyl)allylamine: Crystal Structures of{(S)-α-(PhC(H)CH3)(CH2CH=CH2)NLi.HMPA}2 and [(Me2N)2POLi]6"
    P.C. Andrews, M. Minopoulos, E.G. Robertson, Eur. J. Inorg. Chem., 2865-2870 (2006).
  • "Gas phase conformation in the ibuprofen analogues isobutylbenzene and 2-phenylpropionic acid"
    E.G. Robertson, R. J. S. Morrison, Mol. Phys. 103, 1625-1632 (2005).
  • "Vibrational assignment of isoxazole aided by rovibrational data and density functional theory"
    E.G. Robertson, J. Mol. Spectrosc. 231, 50-56 (2005).
  • "Interplanar torsion in the S1←S0 electronic spectrum of jet cooled 1-phenylimidazole"
    E.G. Robertson, C.D. Thompson, R. J. S. Morrison, J. Chem. Phys. 121, 12421-12427 (2004).
  • "Hydration of neurotransmitters: a computational and spectroscopic study of a noradrenaline analogue, 2-amino-1-phenyl-ethanol."
    N.A. Macleod, E.G. Robertson, J.P. Simons, Molec. Phys. 101, 2199-2210 (2003).
  • "IR spectroscopy of OP-X and derivatives - mistaken identity on a large scale"
    E.G. Robertson, D. McNaughton, J. Phys. Chem. A. 107, 642-650 (2003). 
  • "Conformational Analysis by Laser Spectroscopy in the Gas Phase: p-Methoxyphenethylamine (a Neurotransmitter)."
    J. T. Yi, D. W. Pratt, E.G. Robertson, Phys. Chem. Chem. Phys., 4, 5244-5248 (2002).
  • "High resolution electronic spectroscopy of three n-alkylbenzenes. Ethyl-, propyl- and butylbenzene"
    D.R. Borst, P.W. Joireman, D.W. Pratt, E.G. Robertson, J.P. Simons, J. Chem. Phys., 116, 7057-7064 (2002).
  • "A comparison between the predicted and experimental fundamentals of some simple fluorocarbons"
    H. Jiang, D. Appadoo, E.G. Robertson, D. McNaughton, J. Comput. Chem., 23, 1220-1225 (2002).
  • Comment on "Structural and Vibrational Assignment of p-methoxyphenylethylamine Conformers"
    E.G. Robertson, J.P. Simons, M. Mons, J. Phys. Chem. A, 105, 9990-9992 (2001).
  • "Getting into shape: Conformational and supramolecular landscapes in small biomolecules and their hydrated clusters" (Invited Article)
    E.G. Robertson, J.P. Simons, Phys. Chem. Chem. Phys, 3, 1-18 (2001). ISI Citation Classic