In this talk, I will discuss recent work in our group in which we made connections between proton transfer processes and hydrogen bonding and vibrational frequencies and intensities.  Due to the large amplitude motions associated with proton transfer along a hydrogen bond, the vibrational spectra of these systems contain features that cannot be understood by the usual harmonic description of molecular vibrations, and even the widths of anticipated features encode information about these anharmonic couplings.  The breakdown of the harmonic tre

The lecture deals with the calculation of various spectroscopic properties of molecules. Electron impact mass spectrometry, the automated simulation of infrared spectra for unknown compound identification, 1H-NMR spectra, as well as optical spectra and electronically excited states are considered. The examples shown either deal with large systems (e.g. full QM protein treatments) or involve huge structural ensembles of medium-sized drug-type molecules (for IR or NMR).

Vehicles, power plants, agricultural burning, and forest fires are examples of combustion sources whose particulate emissions – known as particulate matter (PM) or aerosols – have profound yet poorly characterized effects on public health and climate. In this seminar, I will present an overview of the state of science of the environmental impacts of combustion aerosols and highlight some of the knowledge gaps.

Prof. Charles R. Kutal, 75, of the UGA Chemistry Department passed away Friday, August 30, 2019 at his home in Athens.



Chuck was born August 9, 1944 in Chicago, IL to Charles George Kutal and Mildred David Kutal.  He married Judy Gombos in April 1974, and they celebrated their 45^th wedding anniversary recently.

The University of Georgia Department of Chemistry invites applications for a tenure track faculty position in organic chemistry, beginning August 1, 2020, at the level of Assistant Professor. UGA Chemistry has organic expertise both in core areas (e.g., synthesis and methods, physical organic, catalysis) and in crosscutting fields related to our interdisciplinary centers and institutes (e.g., Complex Carbohydrate Research Center, New Materials Institute, Center for Computational and Quantum Chemistry).

Immunoglobulin G1 (IgG1) is the most abundant circulating human antibody and also the most common scaffold for therapeutic monoclonal antibodies (mAbs). The destruction of IgG-coated targets by cell-mediated pathways begins with an interaction between the IgG Fc region and multiple varieties of membrane-bound Fc g receptors (FcgRs) on the surface of leucocytes. This interaction requires the presence of an asparagine-linked (N-)glycan on the Fc.

The Computational and Theoretical Chemistry Group (CATCO) at Southern Methodist University (SMU) is devoted to the development and coding of quantum chemical methods and their application to pending chemical problems.

Organic, hybrid, and 2D materials have attracted interest for electronic applications due to their potential for use in low-cost, large-area, flexible electronic devices. Here we will report on recent developments pertaining to surface modifiers and dopants that could impact the charge injection/collection/transport processes in organic light emitting diodes, organic field effect transistors, and photovoltaic devices.