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Refereed Publications
2014 2013 2012 2011 2010 2005-2009 2000-2004 Pre-2000

Reviews Book Chapters Conference Proceedings

Refereed Publications 2010-Present
NOTE: PDF copies of articles are available when permitted by copyright.

2014

68. M.Salem and A. Brown, "Two-photon absorption in fluorescent protein chromophores: TDDFT and CC2 results," J. Chem. Theo. Comp. DOI: 10.1002/anie.201307373

67.P.A. Lummis, M.R. Momeni, M.W. Lui, R. McDonald, M.J. Ferguson, M. Miskolzie, A. Brown and E. Rivard, "Accessing Zinc Monohydride Cations via Coordinative Interactions," Angewandte Chemie

66. S. Sun and A. Brown, "Simulation of the Resonance Raman Spectrum For Uracil," in press J. Phys. Chem. A DOI: 10.1021/jp503099m

65. G.He, W.Torres Delgado, D.J.Schatz, C.Merten, A.Mohammadpour, L.Mayr, M.J. Ferguson, R. McDonald, A. Brown, K. Shankar and E. Rivard "Coaxing Solid State Phosphorescence from Tellurophenes," Angewandte Chemie 53 4587-4591 (2014). Abstract DOI: 10.1002/anie.201307373

2013

64. Mohammad R. Momeni, Eric Rivard and A. Brown "Carbene-bound Borane and Silane Adducts: A Comprehensive DFT Study on their Stability and Propensity for Hydride-mediated Ring Expansion," Organometallics 32 6201-6208 (2013). Abstract DOI: 10.1021/om400791r

63. A. Brown and R.E. Wasylishen, "Hyperfine Constants for Aluminum Hydride and Aluminum Deuteride," J. Mol. Spectrosc. 292 8--14 (2013). Abstract DOI: 10.1016/j.jms.2013.08.003

62. S. M. Ibrahim Al-Rafia, Mohammad R. Momeni, Michael J. Ferguson, Robert McDonald, A. Brown and Eric Rivard, "Stable Complexes of Parent Digermene: an Inorganic Analogue of Ethylene," Organometallics. 32 6658-6665 (2013). Abstract DOI: dx.doi.org/10.1021/om400361n

61. S. M. Ibrahim Al-Rafia, Mohammad R. Momeni, Robert McDonald, Michael J. Ferguson, A. Brown and Eric Rivard, "Controlled Growth of Dichlorogermanium Oligomers from Lewis Basic Hosts," Angewandte Chemie (VIP article) 52 6390-6395 (2013). Abstract DOI: 10.1002/anie.201302767

60. M. Gedik and A. Brown, "Computational Study of the Excited State Properties of Modified RNA Nucleobases," J. Photochem. and Photobiol. A. 259 25-32 (2013). Abstract DOI: 10.1016/j.jphotochem.2013.02.023

59. E. Pradhan, J.-L. Carreon-Macedo, J.E. Cuervo, M. Schroeder, and A. Brown, "Ab Initio Potential Energy and Dipole Moment Surfaces for CS2: Determination of Molecular Vibrational Energies," J. Phys. Chem. A 117 6925-6931 (2013). [Joel M. Bowman Festschrift] Abstract DOI: 10.1021/jp309651r

2012

58. E.K. Campbell, A.B. Alekseyev, G.G. Balint-Kurti, M. Brouard, A. Brown, R.J. Buenker, A.J. Johnsen, D.B. Kokh, S. Lucas, and B. Winter, "The vibrationally mediated photodissociation of Cl2," J. Chem. Phys. 137 124310 (2012) (11 pages). Abstract Abstract+PDF DOI: 10.1063/1.4754160

57. A. Brown and R.E. Wasylishen, "Nuclear quadrupole coupling constants for N2O: Experiment and Theory," J. Phys. Chem. A, 116 9769-9776 (2012). Abstract DOI: 10.1021/jp306213n

56. R.R. Zaari and A. Brown, "Effect of Laser Pulse Shaping Parameters on the Fidelity of Quantum Logic Gates," J. Chem. Phys. 137 104306 (2012) (12 pages). Abstract Abstract+PDF DOI: 10.1063/1.4747703

55. E.K. Campbell, A.B. Alekseyev, G.G. Balint-Kurti, M. Brouard, A. Brown, R.J. Buenker, R. Cireasa, A.J. Gilchrist, A.J. Johnsen, D.B. Kokh, S. Lucas, G.A.D. Ritchie, T.R. Sharples, and B. Winter, "Electronic polarization effects in the photodissociation of Cl2," J. Chem. Phys. 136 164311 (2012) (16 pages). Abstract Abstract+PDF DOI: 10.1063/1.4708430

54. A.J. Johnsen, A.B. Alekseyev, G.G. Balint Kurti, M. Brouard, A. Brown, R.J. Buenker, E.K. Campbell, and D.B. Kokh "A complete quantum mechanical study of chlorine dissociation," J. Chem. Phys. 136 164310 (2012) (15 pages). Abstract Abstract+PDF DOI: 10.1063/1.4704829

53. L. Liu, K. Michelsen, E. Kitova, P. Schnier, A. Brown, J. Klassen, "Deuterium Kinetic Isotope Effects on the Dissociation of a Protein-Fatty Acid Complex in the Gas Phase," J. Am. Chem. Soc. 134 5931-5937 (2012). Abstract DOI: 10.1021/ja300092w

52. A. Brown, T.Y. Ngai, M.A. Barnes, J.A. Key and C.W. Cairo, "Substituted benzoxadiazoles as fluorogenic probes: A computational study of absorption and emission," J. Phys. Chem. A 116 46-54 (2012). Abstract DOI: 10.1021/jp2079296

2011

51. R.R. Zaari and A. Brown, "Effect of diatomic molecular properties on binary laser pulse optimizations of quantum gate operations," J. Chem. Phys., 135 044317 (2011). (7 pages) Abstract Abstract+PDF DOI: 10.1063/1.3617248 [Selected for the August 2010 Issue of the Virtual Journal of Quantum Information.]

50. S.Y.Y. Wong, D. Benoit, M. Lewerenz, A. Brown and P.-N. Roy, "Determination of molecular vibrational energies using the ab initio semiclassical initial value representation: Application to formaldehyde," J. Chem. Phys., 134 094110 (2011). (10 pages) Abstract Abstract+PDF DOI: 10.1063/1.3553179

2010

49. R.R. Zaari and A. Brown, "Quantum gate operations using mid-infrared binary shaped pulses on the rovibrational states of carbon monoxide," J. Chem. Phys., 132 014307 (2010). (9 pages) Abstract Abstract+PDF DOI: 10.1063/1.3290957 [Selected for the January 2010 Issue of the Virtual Journal of Quantum Information.] [Selected for the February 2010 Issue of the Virtual Journal of Ultrafast Science.]

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Last update February 23, 2014.