Environmental Molecular Sciences

Contact information W. R. Wiley Environmental Molecular Sciences Laboratory... 

Environmental Molecular Sciences Laboratory Pacific Northwest Laboratory Richland, WA 99352 USA... 

Department of Chemistry, Washington State University, Pullman, Washington 99164-4630 and the Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, WA 99352... 

This research was performed in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL). Operation of the EMSL is funded by the Office of Biological and Environmental Research in the U.S. Department of Energy (DOE). PNNL is operated by Battelle Memorial Institute for the U.S. DOE under Contract DEAC06-76RLO 1830. This work was supported by the Division of Chemical Sciences in the Office of Basis Energy Sciences of the U.S. DOE. 

TANJA VAN MOURIK," ANGELA K. WE.SON, KIRK A. PETERSON, DAVID E. WOON, AND THOM H. DUNNING, JR/ Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory, Richland, Washington 99352, U.S.A. 

Dixon DA (2001) Fluorochemical Decomposition Process. Theory, Modeling, and Simulation. W.R. Wiley Environmental Molecular Sciences Lab. Pacific Northwest National Lab. Richmond WA... 

R. Wiley Environmental Molecular Sciences Laboratory, a US DOE scientific user facility operated for the DOE by PNNL. The Pacific Northwest National Laboratory is a multiprogram national laboratory operated for the US Department of Energy by Battelle Memorial Institute. 

D. Feller and K. A. Peterson,/. Chem. Phys., 108, 154 (1998). An Examination of Intrinsic Errors in Electronic Structure Methods Using the Environmental Molecular Sciences Laboratory Computational Results Database and the Gaussian-2 Set. 

Environmental Molecular Science Institutes (NSE-DOE Partnership). The ERSD, together with the Chemical Sciences, Geosciences, and Biosciences Division of the DOE Office of Basic Energy Sciences have teamed with the National Science Eoundation to establish several Environmental... 

Support from the Czech Ministry of Education (grants LC512 and ME644) and via the NSF - funded Environmental Molecular Science Institute (grants CHE 0431312 and 0209719) is gratefully acknowledged. 

We gratefully acknowledge support for this research from the Division of Chemical Sciences, U.S. Department of Energy (Grant DE-FG02-86ER13529 to BEB), from Los Alamos National Laboratory, and from the Ohio Supercomputer Center and the Environmental Molecular Sciences Laboratory at Pacific Northwest National Laboratory for grants of computer time. 

Environmental Molecular Sciences Participants in this project include researchers from Pennsylvania State University. They plan to take a multidisciplinary approach to integrating information about environmental chemistry across many different scales of space and time. A database will be developed at the Center for Environmental Kinetics Analysis, an NSF-supported Environmental Molecular Science Institute, to improve communication among scientists working in various disciplines and at vastly different scales. 

Computational Environmental Molecular Science for DOE Site Cleanup... 

David A. Dixon is a Battelle fellow in the Fundamental Science Directorate at the Pacific Northwest National Laboratory (PNNL), where he previously served as associate director for theory, modeling, and simulation at the William R. Wiley Environmental Molecular Sciences Laboratory. His main research interest is the use of numerical simulation to solve complex chemical problems with a primary focus on the quantitative prediction of molecular behavior. He uses numerical simulation methods to obtain quantitative results for molecular systems of interest to experimental chemists and engineers with a specific focus on the design of new materials and production processes. Before moving to PNNL, he was research fellow and research leader in computational chemistry at DuPont Central Research and Development (1983-1995) and a member of the Chemistry Department at the University of Minnesota, Minneapolis (1977-1983). He earned his B.S. in chemistry from the California Institute of Technology and his Ph.D. in physical chemistry from Harvard University, where he served as a junior fellow of the Society of Fellows, Harvard University. He is a fellow of the American Association for the Advancement of Science, and a fellow of the American Physical Society. He is a recipient of the 1989 Leo Hendrik Baekeland Award presented by the American Chemical Society, the Federal Laboratory Consortium Technology Transfer Award (2000), and the 2003 American Chemical Society Award for Creative Work in Fluorine Chemistry. 

The NSF Science and Technology Centers and Environmental Molecular Science Institutes and Collaborative Research in Environmental Molecular Science Grants Program are small steps toward improved funding in the environmental science research area. 

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