Directory Record for:

James D. Kubicki

Title(s):

Associate Professor of Geosciences

Department:

Geosciences

College/Admin. Unit:

College of Earth and Mineral Sciences

Office Address:

308 Deike Building

University Park, PA 16802

Office Phone:

(814) 865-3951

Office Fax:

(814) 863-7823

E-Mail Address:

Validate to view address - Send Email via form

http://www.geosc.psu.edu/People/Faculty/FacultyPages/Kubicki/index.html

Research Synopsis:

My research focuses on determining atomic structures in non-crystalline systems and geochemical reaction mechanisms. Problems of interest include mineral surfaces, dissolution, metal-organic complexation, structure of natural organic matter, contaminant chemistry and silicate glass structure. The dominant approach to these problems has been to combine molecular modeling techniques, such as molecular orbital and density functional theories, with experiments and spectroscopic analysis.

Technologies Impacted by Research:

Selected Publications:

Kubicki, J.D., G.A. Blake, and S.E. Apitz, (1999) Molecular models of benzene and selected PAHs in the gas, aqueous, and adsorbed states. Environmental Toxicology and Chemistry, 18, 1656-1662.
Kubicki, J.D., M.J. Itoh, L.M. Schroeter, B.N. Nguyen, and S.E. Apitz (1999) Attenuated total reflectance Fourier-transform infrared spectroscopy of carboxylic acids absorbed onto mineral surfaces. Geochimica et Cosmochimica Acta, 63, 2709-2725.
Kubicki, J.D., D. Sykes and S.E. Apitz (1999) Ab initio calculation of aqueous aluminum and aluminum-carboxylate NMR chemical shifts. Journal of Physical Chemistry A, 103, 903-915.