Publications

  • “The Tropolone-Isobutylamine Complex: a Hydrogen-Bound Troponoid Without Dominant π-π Interactions.” Z.N. Vealey, B.Q. Mercado, and P.H. Vaccaro, Acta Cryst. C72 (2016) ,
  • “Insights on the Origin of the Unusually Large Specific Rotation of (1S, 4S)-Norbornenone.” M. Caricato, P. H. Vaccaro, T. D. Crawford, K. B. Wiberg and P. Lahiri, J. Phys. Chem. A, 118, 4863 (2014)
  • “Large Solvation Effect in the Optical Rotatory Dispersion of Norbornenone.” P. Lahiri, K. B. Wiberg, P. H. Vaccaro, M. Caricato, T. D. Crawford, Angew. Chem. Int. Ed., 53, 1386 (2014).
  • “Towards the Accurate and Efficient Calculation of Optical Rotatory Dispersion Using Augmented Minimal Basis Sets.” Wiberg, K. B., Caricato, M., Wang, Y. G., and Vaccaro, P. H., Chirality, 25, 606 (2013).
  • “Precursor Transformation during Molecular Oxidation Catalysis with Organometallic Iridium Complexes.” U. Hintermair, S. W. Sheehan, A. R. Parent, D. H. Ess, D. T. Richens, P. H. Vaccaro, and R. H. Crabtree, J. Am. Chem. Soc., 135, 10837 (2013).
  • “Intrinsic Optical Activity and Conformational Flexibility: The Role of Size-Dependent Ring Morphology in Model Cycloketones.” P. Lahiri, K. B. Wiberg, and P. H. Vaccaro, J. Phys. Chem. A, 117, 12382 (2013).
  • “Isotopic Dependence of Excited-State Proton-Tunneling Dynamics in Tropolone Probed by Polarization-Resolved Degenerate Four-Wave Mixing Spectroscopy.” K. Chew, D. J. Nemchick, and P. H. Vaccaro, J. Phys. Chem. A, 117, 6126 (2013).
  • “A Tale of Two Carenes: Intrinsic Optical Activity and Large-Amplitude Nuclear Displacement,” P. Lahiri, K. B. Wiberg, and P. H. Vaccaro, J. Phys. Chem. A, 116, 9516 (2012)
  • “Chapter 11: Optical Rotation and Intrinsic Optical Activity” P. H. Vaccaro, in Comprehensive Chiroptical Spectroscopy: Instrumentation, Methodologies, and Theoretical Simulations, Volume 1, eds. N. Berova, P. L. Polavarapu, K. Nakanishi, R. W. Woody, (John Wiley & Sons, Inc., Hoboken, NJ, USA, 2012).
  • “Electronic Structure and Proton Transfer in Ground-State Hexafluoroacetylacetone,” C. Chatterjee, C. D. Incarvito, L. A. Burns, P. H. Vaccaro, J. Phys. Chem. A, 114, 6630 (2010).
  • “Vibrational Specificity of Proton-Transfer Dynamics in Ground-State Tropolone,” D. Murdock, L. A. Burns and P. H. Vaccaro, Phys. Chem. Chem. Phys., 12, 8285 (2010).
  • “Double Proton Transfer in the X1A1 and A1B2 (π*π) states of the Tropolone・HF Complex,” L. A. Burns, D. Murdock and P. H. Vaccaro, Mol. Phys., 108, 1171 (2010).
  • “Dissection of Rovibronic Structure by Polarization-Resolved Two-Color Resonant Four-Wave Mixing Spectroscopy.” D. Murdock, L. A. Burns and P. H. Vaccaro, J. Phys. Chem. A, 113, 13184 (2009)
  • “Spectrscopy: Handedness in Quick Time.” P. H. Vaccaro, Nature, 458, 289 (2009)
  • “An Exploration of Electronic Structure and Nuclear Dynamics in Tropolone: II. The A1B2 (π*π) Excited State,” L. A. Burns, D. Murdock, and P. H. Vaccaro, J. Chem. Phys. 124, 204307 (2008).
  • “Optical Rotatory Dispersion of 2,3-Hexadiene and 2,3-Pentadiene,” K. B. Wiberg, Y.-G. Wang, S. M. Wilson, P. H. Vaccaro, W. L. Jorgensen, T. D. Crawford, M. L. Abrams, J. R. Cheeseman, and M. R. Luderer, J. Phys. Chem. A 112, 2415(2008).
  • “The Effects of Conformation and Solvation on Optical Rotation: Substituted Epoxides,” S. M. Wilson, K. B. Wiberg, M. J. Murphy, and P. H. Vaccaro, Chirality 20, 357 (2007).
  • “Mode-Specific Tunneling Dynamics in the Ground Electronic State of Tropolone,” D. Murdock, L. A. Burns, and P. H. Vaccaro, J. Chem. Phys. 127, 081101 (2007).
  • “Time-Domain Method for Characterizing Retardation Plates with High Sensitivity and Resolution,” S. M. Wilson, V. Vats, and P. H. Vaccaro, J. Opt. Soc. Am. B 24, 2500 (2007).
  • “Effect of Substituents and Conformations on the Optical Rotations of Cyclic Oxides and Related Compounds: Relationship between the Anomeric Effect and Optical Rotation,” K. B. Wiberg, S. M. Wilson, Y.-G. Wang, P. H. Vaccaro, J. R. Cheeseman, and M. R. Luderer, J. Org. Chem. 72, 6206 (2007).
  • “Investigation of Electronic Structure and Proton Transfer in Ground State Acetylacetone,” S. A. Broadbent, L. A. Burns, C. Chatterjee, and P. H. Vaccaro, Chem. Phys. Lett. 434, 31 (2007).
  • “Sum-Over-States Calculation of the Specific Rotations of Some Substituted Oxiranes, Chloropropionitrile, Ethane, and Norbornenone,” K. B. Wiberg, Y.-G. Wang, S. M. Wilson, P. H. Vaccaro, and J. R. Cheeseman, J. Phys. Chem. A 110, 13995(2006).
  • “An Exploration of Electronic Structure and Nuclear Dynamics in Tropolone: I. The X1A1 Ground State,” L. A. Burns, D. Murdock, and P. H. Vaccaro, J. Chem. Phys. 124, 204307 (2006).
  • “Nonresonant Optical Activity of Isolated Organic Molecules,” S. M. Wilson, K. B. Wiberg, J. R. Cheeseman, M. J. Frisch, and P. H. Vaccaro, J. Phys. Chem. A 109, 11742 (2005).
  • “Chiroptical Properties of 2-Chloropropionitrile,” K. B. Wiberg, Y.-G. Wang, S. M. Wilson, P. H. Vaccaro, and J. R. Cheeseman, J. Phys. Chem. A 109, 3448 (2005).
  • “Conformational Effects on Optical Rotation. 2-Substituted Butanes,” K. B. Wiberg, Y.-G. Wang, P. H. Vaccaro, J. R. Cheeseman, and M. R. Luderer, J. Phys. Chem. A 109, 3405(2005).
  • “Comparison of CIS- and EOM-CCSD-Calculated Adiabatic Excited-State Structures. Changes in Charge Density on Going to Adiabatic Excited States,” K. B. Wiberg, Y.-G. Wang, A. E. de Oliveira, S. A. Perera, and P. H. Vaccaro, J. Phys. Chem. A 109, 466 (2005).
  • “Spectroscopic signatures of nonrigidity: Algebraic analyses of infrared and Raman transitions in nonrigid species,” F. Pérez-Bernal, L. F. Santos, P. H. Vaccaro, and F. Iachello, Chem. Phys. Lett. 414, 398 (2005).
  • “Temperature Dependence of Optical Rotation: α-Pinene, β-Pinene, Pinane, Camphene, Camphor and Fenchone,” K. B. Wiberg, Y.-G. Wang, M. J. Murphy, and P. H. Vaccaro, J. Phys. Chem. A 108, 5559 (2004).
  • “Rotation-tunneling analysis of the origin band in the tropolone π* ← π absorption system,” A. E. Bracamonte and P. H. Vaccaro, J. Chem. Phys. 120, 4638 (2004).
  • “Optical Activity of 1-Butene, Butane, and Related Hydrocarbons,” K. B. Wiberg, Y.-G. Wang, P. H. Vaccaro, J. R. Cheeseman, G. Trucks, and M. Frisch, J. Phys. Chem. A 108, 32 (2004).
  • “A Novel Algebraic Scheme for Describing Non-Rigid Molecules,” F. Iachello, F. Pérez-Bernal, and P. H. Vaccaro, Chem. Phys. Lett.375, 309 (2003).
  • “The Dissection of Rovibronic Band Structure by Polarization-Resolved Degenerate Four-Wave Mixing Spectroscopy,” A. E. Bracamonte and P. H. Vaccaro, J. Chem. Phys. 119, 887 (2003).
  • “Conformational Effects on Optical Rotation: 3-Substituted-1-Butenes,” K. B. Wiberg, P. H. Vaccaro, and J. R Cheeseman, J. Am. Chem. Soc. 125, 1888 (2003).
  • “Algebraic Analysis of Bent-From-Linear Transition Intensities: The Vibronically-Resolved Emission Spectrum of Methinophophide (HCP),” H. Ishikawa, H. Toyosaki, N. Mikami, F. Pérez-Bernal, P. H. Vaccaro, and F. Iachello, Chem. Phys. Lett. 365, 57 (2002).
  • “The Influence of Finite Bandwidth Excitation Sources in Degenerate Four-Wave Mixing Spectroscopy,” T. A. W. Wasserman, P. H. Vaccaro, and B. R. Johnson, J. Chem. Phys.116, 10099 (2002).
  • “An Optical Mounting System for Cavity Ring-Down Polarimetry (CRDP),” T. Müller, K. Wiberg, and P. H. Vaccaro, Rev. Sci. Instrum. 73, 1340 (2002).
  • “Cavity Ring-Down Polarimetry (CRDP): Theoretical and Experimental Characterization,” T. Müller, K. Wiberg, P. H. Vaccaro, J. R. Cheeseman, and M. J. Frisch, J. Opt. Soc. Am. B19, 125 (2001).
  • “A Quantitative Study of Non-Condon Effects in the S2O C → X Emission Spectrum,” F. Iachello, F. Pérez-Bernal, T. Müller, and P. H. Vaccaro, J. Chem. Phys. 112, 6507 (2000)
  • “Algebraic Approach for the Calculation of Polyatomic Franck-Condon Factors: Application to the Vibronically-Resolved Absorption Spectrum of Disulfur Monoxide (S2O),” T. Müller, P. H. Vaccaro, F. Pérez-Bernal, and F. Iachello, Chem. Phys. Lett. 329, 271 (2000).
  • “Cavity Ring-Down Polarimetry (CRDP): A New Scheme for Probing Circular Birefringence and Circular Dichroism in the Gas Phase,” T. Müller, K. Wiberg, and P. H. Vaccaro, J. Phys. Chem. A 104, 5959 (2000).
  • “The Vibronically-Resolved Emission Spectrum of Disulfur Monoxide (S2O): An Algebraic Calculation and Quantitative Interpretation of Franck-Condon Transition Intensities,” T. Müller, P. H. Vaccaro, F. Pérez-Bernal, and F. Iachello, J. Chem. Phys.111, 5038 (1999).
  • “Degenerate Four-Wave Mixing Spectroscopy as a Probe of Orientation and Alignment in Molecular Systems,” T. A. W. Wasserman, P. H. Vaccaro, and B. R. Johnson, J. Chem. Phys.108, 7713 (1998).
  • “Construction and Characterization of a Short Pulse Slit-Jet Source Based upon the Current Loop-Actuated Design,” T. Müller and P. H. Vaccaro, Rev. Sci. Instrum. 69, 406 (1998).
  • “Algebraic Approach for the Calculation of Polyatomic Franck-Condon Factors: Application to the Vibronically-Resolved Emission Spectrum of S2O,” T. Müller, P. Dupré, P. H. Vaccaro, F. Pérez-Bernal, M. Ibrahim, and F. Iachello, Chem. Phys. Lett. 292, 243(1998).
  • “Anisotropy-Induced Polarization Effects in Degenerate Four-Wave Mixing Spectroscopy: A New Scheme for Probing Molecular Orientation and Alignment,” T. Müller, T. A. W. Wasserman, P. H. Vaccaro, and B. R. Johnson, J. Chem. Phys. 108, 4 (1998).
  • “Chapter 4: Degenerate Four-Wave Mixing (DFWM) Spectroscopy,” P. H. Vaccaro, in Nonlinear Spectroscopy for Molecular Structure Determination, eds. E. Hirota, R. W. Field, J. P. Maier, and S. Tsuchiya (Blackwell Scientific Publications Ltd. for Physical Chemistry Division of IUPAC, London, 1998).
  • “Proton Transfer Dynamics in the First Excited Singlet State of Malonaldehyde,” A. A. Arias, T. A. W. Wasserman, and P. H. Vaccaro, J. Chem. Phys. 107, 5617 (1997).
  • “The Application of Pulsed Slit-Jet Expansion Sources in sub-Doppler Degenerate Four-Wave Mixing Spectroscopy,” T. Müller and P. H. Vaccaro, Chem. Phys. Lett. 266, 575 (1997).
  • “Incorporation of Angular Momentum Anisotropy in the Analysis of Resonant Four-Wave Mixing Spectroscopy,” T. A. W. Wasserman, P. H. Vaccaro, and B. R. Johnson, J. Chem. Phys. 106, 6314(1997).
  • “Size Dependent Optical Second Harmonic Generation from Surface Bound Na Clusters: Comparison Between Experiment and Theory,” T. Müller, P. H. Vaccaro, F. Balzer and H.-G. Rubahn,Opt. Comm. 135, 103 (1997).
  • “Degenerate Four-Wave Mixing Spectroscopy as a Probe of Photodissociation Dynamics: Nascent SH Population Distributions from the 266nm Photolysis of Hydrogen Sulfide,” T. A. W. Wasserman, A. A. Arias, T. Müller, and P. H. Vaccaro, Chem. Phys. Lett. 262, 329 (1996).
  • “Sub-Doppler Nonlinear Spectroscopy as a Probe of Photodissociation Dynamics,” T. A. W. Wasserman, A. A. Arias, S. A. Kandel, D. Hsu, and P. H. Vaccaro, SPIE 2548, 220 (1995).
  • “Laser-Induced Fluorescence Studies of Jet-Cooled S2O: Axis Switching and Predissociation Effects,” Q. Zhang, P. Dupré, B. Grzybowski, and P. H. Vaccaro, J. Chem. Phys. 103, 67 (1995)
  • “Ab initio Studies of Electronically-Excited Carbon Disulfide,” Q. Zhang and P. H. Vaccaro, J. Phys. Chem. 99, 1799 (1995).
  • “Resonant Four-Wave Spectroscopy: A New Probe for Vibrationally-Excited Species,” P. H. Vaccaro, in Advanced Series in Physical Chemistry: Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping, eds. R. W. Field and H.-L. Dai, (World Scientific Publishers, New York, 1994).
  • “Resonant Four-Wave Mixing Spectroscopy as a Probe of Molecular Structure and Dynamics in the Regime of Extreme Vibrational Excitation,” S. A. Kandel, T. A. W. Wasserman, Q. Zhang, H. Wang, A. A. Arias, and P. H. Vaccaro, SPIE 1858, 126(1993).
  • “Experimental Determination of the Specific Opacity Function for the Ba + HI → BaI (v=0) + H Reaction,” P. H. Vaccaro, A. A. Tsekouras, D. Zhao, C. A. Leach, and R. N. Zare, J. Chem. Phys.96, 2786 (1992).
  • “Detection of Stimulated Emission Pumping via Degenerate Four-Wave Mixing,” Q. Zhang, S. A. Kandel, T. A. W. Wasserman, and P. H. Vaccaro, J. Chem. Phys. 96, 1640 (1992).
  • “Indirect Information on Reactive Transition States from Conservation of Angular Momentum,” C. A. Leach, A. A. Tsekouras, P. H. Vaccaro, R. N. Zare, and D. Zhao, Faraday Discuss. Chem. Soc. 91, 183 (1991).
  • “Analysis of BaI (0,0) Band for High Rotational Levels,” D. Zhao, P. H. Vaccaro, A. A. Tsekouras, C. A. Leach, and R. N. Zare, J. Mol. Spectrosc. 148, 226 (1991).
  • “Laser Spectroscopy of Crossed Molecular Beams: The Dissociation Energy of BaI from Energy Balance Measurements,” P. H. Vaccaro, D. Zhao, A. A. Tsekouras, C. A. Leach, W. E. Ernst, and R. N. Zare, J. Chem. Phys. 93, 8544 (1990).
  • “Collisional Relaxation of H2CO (, v4=1, JKa,Kc=132,12) by He, Ar, Xe and N2,” F. Temps, S. Halle, P. H. Vaccaro, R. W. Field, and J. L. Kinsey, J. Chem. Phys. 91, 1008 (1989).
  • “High Precision Dipole Moments in Formaldehyde Determined via Stark Quantum Beat Spectroscopy,” P. H. Vaccaro, A. Zabludoff, M. Carrera-Patiòo, J. L. Kinsey, and R. W. Field, J. Chem. Phys.90, 4150 (1989).
  • “Polarization-Detected Transient Gain Studies of Relaxation Processes in v4=1 Formaldehyde-h2,” P. H. Vaccaro, F. Temps, S. Halle, J. L. Kinsey, and R. W. Field, J. Chem. Phys. 88, 4819(1988).
  • “Vibrationally Excited Formaldehyde: The Relationship Between Vibrational Structure and Collisional Properties,” F. Temps, S. Halle, P. H. Vaccaro, R. W. Field, and J. L. Kinsey, J. Chem. Soc. Farad. Trans. II 84, 1457 (1988).
  • “Collisional Energy Transfer in Highly Vibrationally Excited H2CO (X1A1),” F. Temps, S. Halle, P. H. Vaccaro, R. W. Field, and J. L. Kinsey, J. Chem. Phys. 87, 1895 (1987).
  • “Rotational Relaxation in the H2CO A1A2 State by Transient Gain Spectroscopy,” P. H. Vaccaro, R. L. Redington, J. Schmidt, J. L. Kinsey, and R. W. Field, J. Chem. Phys. 82, 5755 (1985).
  • “Electric Dipole Moments of Excited Vibrational Levels in the State of Formaldehyde by Stimulated Emission Spectroscopy,” P. H. Vaccaro, J. L. Kinsey, R. W. Field, and H.-L. Dai, J. Chem. Phys.78, 3659 (1983).
  • “Laser Preparation of Highly Excited Vibrational Levels of Molecules,” E. Abramson, H.-L. Dai, R. W. Field, D. H. Katayama, J. L. Kinsey, C. Kittrell, D. E. Reisner, and P. H. Vaccaro,Proceedings Conference on Lasers as Reactants and Probes in Chemistry, Howard University (1982).
  • “Selective Vibrational Excitation of Formaldehyde by Stimulated Emission Pumping,” D. E. Reisner, P. H. Vaccaro, C. Kittrell, R. W. Field, J. L. Kinsey, and H.-L. Dai, J. Chem. Phys. 77, 573(1982).