Vaccaro, Patrick H. - Yale University - Department of Chemistry

个人简介

Presidential Young Investigator, 1991 David and Lucile Packard Fellow, 1992 Camille Dreyfus Teacher-Scholar, 1994 Fellow of The American Physical Society, 2007

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"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).

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