Boca Raton / Bonawitz / New York / Weinheim / Berlin / Hathorn / L.A. / Knoxville / /
Company
ACS / Ralph S.A. / Ge / Russell / National Renewable Energy Laboratory / CRC Press / SANS / Oxford University Press / Oak Ridge National Laboratory / Quantum Chemical / /
Country
Norway / United States / United Kingdom / /
Currency
pence / / /
Facility
University of Tennessee / Plant Molecular Biology / American Institute of Chemical Engineers / American Institute of Chemical Engineers Environ Prog / Plant Physiology / Wiley Online Library / /
IndustryTerm
chemical approaches / nd low-energy conformers / lowest-energy conformations / substantial parallel computing resources / fewer reactive site / chemical approach / transportation fuels / lignin-like systems / adsorption energy / enzymatic and chemical hydrolysis / aqueous solution / molecular systems / lowest energy / chemical structures / energy / chemical reactions / low-energy conformers / conformational search techniques / chemical calculations / composite energy calculations / mesoscopic systems / smallest molecular systems / much larger molecular systems / thermo-chemical quantities / Online Library / potential energy function / chemical degradation / random conformer generation algorithm / chemical / chemical bonding / modest computer systems / chemical method / chemical methods / larger molecular systems / gas phase / /
MusicGroup
B.C. / /
Organization
Department of Biochemistry and Cellular / American Institute of Chemical Engineers / Harvard / United States Department of Energy / University of Tennessee / American Institute of Chemical Engineers Environ Prog / Oxford University / /
Person
Jerry M. Parksa / Angela Ziebell / Condensed Matter / / /
Position
T.D. / D.J. / Dean / representative / chemist / /
ProvinceOrState
Minnesota / Sussex / Maryland / North Dakota / British Columbia / Tennessee / California / Colorado / /
PublishedMedium
Current Opinion / Physical Chemistry Chemical Physics / Journal of Molecular Biology / Environmental Research / Tetrahedron Letters / Journal of Chemical Physics / Magnetic Resonance in Chemistry / Nature Biotechnology / Plant Physiology / The Journal of Physical Chemistry B / Journal of Physical Chemistry A / Accounts of Chemical Research / Journal of Computational Chemistry / Theoretical Chemistry Accounts / The Plant Cell / Journal of Physical Chemistry B / Journal of Organic Chemistry / Journal of the American Chemical Society / Lecture Notes in Computer Science / Molecular Biology / /
Molecular Simulation as a Tool for Studying Lignin Amandeep K. Sangha,a,b Loukas Petridis,a,b Jeremy C. Smith,a,b,c Angela Ziebell,d,e and Jerry M. Parksa,b a UT/ORNL Center for Molecular Biophysics, Oak Ridge National L