Physical Chemistry Student Lecture Series
Ohio State University
Chemistry Department
Archive
Information about current seminars can be found on the main page.
| Spring 2008 | ||
| March 25 | Dr. Patrick Rupper | High-resolution Cavity Ringdown Spectroscopy of Jet-cooled Peroxy Radicals |
| April 22 | Hui Zhang | Structure and Dynamics of the Water/Amorphous Silica Interface |
| Tues. May 6 |
The Elsevier Seminar more information |
Nandini Ananth, University of California, Berkeley Quantum Dynamical Behaviour in Complex Systems - A Semiclassical Approach |
| May 20 | Jeremy Beck | Hydrolysis of Nerve Agents by Acetylcholinesterase: From small model systems to QM/MM enzyme models |
| June 3 | Charlene Su | UV/UV Femtosecond Transient Absorption Spectroscopy of Single-Stranded Adenine Multimers |
| Winter 2008 | ||
| January 15 | Stephen Knapp | Guest Speaker from Coherent, Inc
Lasers and Their Applications
|
| February 5 | Ryan Richards |
Guest Speaker from Cleveland State
Thermodynamic Studies on the Potential Use of Boron and/or Nitrogen Containing Molecules as New High Energy Materials
|
| February 12 | Joe Heer | James and the Magic Mesh |
| Wed. Feb 27 |
The Coherent Seminar more information |
Benj FitzPatrick, University of Chicago Probing the O(3P) + allyl radical product channels via unimolecular photodissociation |
| March 11 | Shubham Vyas | Molecular Dynamics Study of Human Butyrylcholinesterase and its Mutants |
| Autumn 2007 | ||
| October 2 | Ming-Wei Chen | Rotationally Resolved Stimulated Emission Pumping (SEP) Spectroscopy Applied to The Methoxy Radicals |
| October 16 | Yu Kay Law | From Excited State Dynamics to Photoproduct Quantum Yields – Applying the Ground State Control Paradigm in Photochemistry to Thymine Dimer Formation in DNA |
| Oct. 24 | Laura R. McCunn |
Guest Speaker from Yale University
Manipulating Electron-Binding Motifs: Photoelectron Imaging of Anionic Water Clusters
|
| November 6 | Jonathan Helmus | Structure and Dynamics of Proteins using Solid State Nuclear Magnetic Resonance Spectroscopy |
| November 27 | Michelle Dolgos | Band gap manipulation of AVO4 ternary metal oxides |
| Spring 2007 | ||
| April 3 | Charlotte Hinkle | Diffusion Monte Carlo Studies on the Excited States of CH5+ |
| April 17 | Nicole Dickson | Anisotropy and Rotational Reorientation of Anthracene Derivatives |
| May 2 |
The Elsevier Seminar more information |
Jennie Thomas, University of California, Irvine Structure and dynamics of atmospherically relevant aqueous interfaces |
| May 15 | Nicole Trease | Optimizing Sensitivity Enhancement Pulse Sequences of Half-Integer Quadrupolar Nuclei in SSNMR |
| May 29 | Ozan Karalti | Reaction of Hydroperoxyl Radical with Benzene Derivatives : A DFT Study |
| Winter 2007 | ||
| January 16 | Dorothy Miller |
Guest Speaker from University of Illinois at Urbana-Champaign
Gas Phase IRPD Spectroscopy and Ab Initio Calculations: Elucidating the hydration of biomolecules
|
| January 23 | Chris Knight | Hydrogen bond topology: order/disorder transitions in ice, and the behavior of defects in a disordered ice lattice |
| February 6 | Derek Lincoln | The Role of Spin in Organic Based Electronic, Photonic, and Magnetic Materials |
| February 21 |
The Coherent Seminar more information |
Christopher A. Rivera, University of Southern California Examination of the solvent effects on the non-adiabatic transition for ICN photodissociation in liquid water |
| Autumn 2006 | ||
| October 3 | Jinjun Liu | Rotationally Resolved A ← X Electronic Spectra of all H/D Isotopomers of the Methoxy Radical |
| October 17 | Jason Ash | Solid-state NMR characterization of Ga-69 and Ga-71 in crystalline solids |
| October 31 | Mike Mrozik | Aspects of Actinide Chemistry & The Story of PaO+ |
| November 14 | Joe Henrich | No title |
| November 28 | Kandice Harper | Atmospheric interfacial chemistry studied by vibrational sum frequency spectroscopy |
| Spring 2006 | ||
| April 4 | Erin Sharp | Observation of the A ← X Electronic Transition of Neopentyl Peroxy Radical |
| April 18 | Oludurotimi Adetunji | The Nature of Electronic States in Conducting Polyaniline Nanofibers (PAN-N) Network |
| April 26 |
The Elsevier Seminar more information |
Ryan Olson, Iowa State University Gold: A Valuable Catalyst? |
| May 2 | Krishna Dey | Use of adiabatic pulses for selective pulse experiments in high resolution solid state NMR |
| May 16 | Chris Middleton | Vibrational Cooling Dynamics in Adenine Derivatives |
| May 30 | Sam Horvath | Theoretical and Spectroscopic Implications of Hydrogen-bonding in X-(H2O) Complexes (X = F, Cl, Br) |
| Winter 2006 | ||
| January 10 | Ya-Ting Kao | Direct observation of thymine dimer repair in DNA by photolyase |
| January 18 |
The Coherent Seminar more information |
David Fromm, Stanford University Better Living with Bow-Ties: Towards a Fundamental Understanding of Surface-Enhanced Raman Spectroscopy |
| January 24 | Herma Cuppen | Molecular Hydrogen Formation on Interstellar Grains |
| February 7 | Ali Hassanali | Lys-Trp-Lys: Structure and Solvation by Molecular Dynamics Simulation |
| February 21 | Peng Tao | How can phosphorylation turn proteins on and off? A Case Study of FKBP12 |
| March 7 | Ken Rodriguez | Infrared absorption assay of the catalytic transformation of benzyl alcohol to benzyl benzoate on Ni using the surface- plasmon-mediated infrared transmission of metallic microarrays |
| Autumn 2005 | ||
| September 27 | Gabriel Just | Cavity Ringdown Spectroscopy of the A-X Electronic Transition of Phenyl Proxy Radical |
| October 11 | Danny Lutterman | Dirhodium(II,II) complexes as potential photoactivated cisplatin analogs |
| October 25 | In Hee Park | Modeling of the ortho-to-para abundance ratio of cyclic C3H2 in interstellar dark clouds |
| November 8 | Peng Tao | Computational Study of the Purine Biosynthetic Pathway |
| November 22 | Lindsay Johnson | Diffusion Monte Carlo Studies of CH5+ |
| Spring 2005 | ||
| April 19 | Patrick Hare | Excited State Dynamics of a Uracil Derivative in Nonpolar Solvents |
| May 3 | Jason Sonnenberg | Computational Studies of Electronically Coupled Ditungsten dialkylidyne Complexes |
| May 17 | Travis Sefzik | Structural Distributions in Pressure Quenched Tetrahedral Inorganic Oxide Glasses |
| May 31 | Hannan Fersi | Nanoseconds Time resolved Infrared spectroscopy and computational studies of psoralen and its derivatives |
| June 14 | Patrick Hare | Solvent Effects on the Excited State Dynamics of 1-Cyclohexyluracil |
| June 14 | Jason Sonnenberg | Homoleptic Nine-Coordinate An(III) and Ln(III) Complexes: Unraveling f-Element Bonding |
| Winter 2005 | ||
| January 4 | Krishna-Kishor Dey | Use of Spatial Encoding in NMR Photography and Spatially Resolved T1 Measurement Method |
| January 18 | Chris Knight | H-bond topology, graph invariants, and proton ordering phase transitions in ice |
| February 1 | TJ Ronningen | Low energy, gas-phase intermolecular dynamics: HCN collisions with He between 1 and 30 K |
| February 15 | Sara Ray | Spectroscopic Implications of the “Structure” of Helium Dihalogen Complexes |
| March 1 | Rajni Tyagi | Ab Initio study of UO and UO2 molecules in the gas phase |
| Autumn 2004 | ||
| September 28 | Chris Middleton | The role of the charge transfer state in quantum yield variations of tryptophan in proteins |
| October 12 | Erin Sharp | Pyrolytic Production of Radicals in Gas Phase Spectroscopy |
| October 26 | Nicole Trease | Developing Pulse Sequences in Solid State NMR |
| November 23 | Lori Levering | Vibrational Spectroscopy Hydrogen Halide Aqueous Solutions: Application to Atmospheric Aerosol Chemistry |
| Spring 2004 | ||
| April 6 | Jason Sonnenberg | Explorations of actinide bonding through molecular orbital analysis. |
| April 20 | June Hyoung Park | Polymer transistors with PEDOT/PSS (polyethylenedioxythiopene/polystyrenesulfonate) and application to electric circuits |
| May 18 | Ken Rodriguez | Enhanced Surface Absorption Spectra Using The Extradorinary Transmission Of Metallic Arrays With Subwavelength Holes: The Snyder Methylene Wagging And Rocking Progressions Of Alkanethiol Self-Assembled Monolayers |
| June 1 | Jose Lopez | Theoretical studies of the transition state dynamics of Arn(IHI) (n=0-20) |
| June 15 | Feng Chen | Mixed Quantum/Classical Approach to Photodissociation of H20 and Ar-H20 |
| Winter 2004 | ||
| February 24 | Ken Rodriguez | SWNT's Building Blocks to Nanotechnology: Energetics and Structure of Buckytubes vs. Length |
| March 9 | John Merle | Computational Study of the Oxygen Initiated Decomposition of 2-Oxepinoxy Radical: A Key Intermediate in the Oxidation of Benzene |
| Autumn 2003 | ||
| September 30 | Hrant Hratchian |
Navigating Potential Energy Surfaces to Understand Chemical Reactions
Potential energy surfaces are central to the application of electronic structure methods to chemical problems. The work of our group has centered on the development of new tools for exploring potential energy surfaces and using these new methods together with well established algorithms to study and understand chemical processes and phenomena. In this talk, a new reaction path following procedure, which is both accurate and efficient, will be introduced. Additionally, a combined experimental (with Prof. John Montgomery, WSU) and computational study of nickel-catalyzed three component couplings will be discussed. |
| October 14 | Wei Zhu | Molecular dynamics simulation of electrolyte solution flow in nanochannel. |
| October 28 | Jason Ash | Techniques for Generating Isotropic Solid State NMR Spectra of Half-Integer Quadrupoles |
|
November 18 |
John Herbert |
Investigation of a two-state mechanism for reactions involving nitric oxide: Nonadiabatic quantum dynamics of FO + NO
Recently, a two-state, nonadiabatic mechanism has been proposed for reaction of peroxyl radicals with nitric oxide (ROO + NO), wherein formation of a stable organic nitrate (RONO2) competes with production of NO2. It is conjectured that such reactions may be an important source of atmospheric NO2. We are currently investigating the plausibility of this rather general mechanism, by means of exact quantum dynamics calculations for the reaction FO + NO --> [FONO]* --> F + NO2, which exhibits most of the qualitative features of the ROO + NO system. A pedagogical introduction to nonadiabatic reactions and quantum dynamics calculations will be provided, along with our recent results for FONO. |
| November 25 | Ilias Sioutis | Jet-Cooled Laser Induced Fluorescence and Dispersed Fluorescence Spectroscopy of 2-Butoxy and tert-Butoxy Radicals |
| Spring 2003 | ||
| April 15 | Chris Middleton | Inelastic Neutron Scattering Spectroscopy and [2.2]Paracyclophane |
| April 29 | Jose Lopez | A Time Dependent Semiclassical Study of Collisions involving Atoms and Molecules |
| May 6 | Justin Oelgoetz | Modeling of the He-like Iron Ka and Li-like KLL X-Ray spectra of steady state and transient astrophysical plasmas |
| May 20 | Shaun Williams | Accessing surface plasmons in the infrared with metal microarrays |
| June 3 | John Merle | Theoretical Rate Calculations for the Reaction of Acrolein with Hydroxyl Radical |
| June 17 | Patrick Hare | Ultrafast Excited State Dynamics of Adennine and Monomethylated Adenines in Solution |