Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Ned C. Haubein"'
Publikováno v:
Industrial & Engineering Chemistry Research. 43:18-29
Methyl tert-butyl ether (MTBE) is a widely used additive in oxygenated gasoline that has recently come under environmental pressure. Consequently, the demand for MTBE is likely to decrease in the future, and new uses for MTBE need to be explored. Pro
Publikováno v:
Journal of Chemical Information and Computer Sciences. 43:1820-1828
Moderate to large size molecules in solution have complex energy surfaces due to intramolecular (conformational) and intermolecular (many-body) interactions. The first principles Monte Carlo (FPMC) method, previously shown to effectively locate minim
Autor:
Linda J. Broadbelt, Raymond A. Cook, Ned C. Haubein, Christian P. Mehnert, Dan Farcasiu, Richard H. Schlosberg, Edmund J. Mozeleski
Publikováno v:
Catalysis Letters. 80:139-145
Methyl tert-butyl ether (MTBE) is a widely used additive in oxygenated gasoline that has recently been identified as a potential health threat to the drinking water supply due to leaking underground storage tanks. One alternate use for MTBE is the pr
Publikováno v:
Oncology Reports. 25
Although extensive literature exists on cancer biomarkers few have found entry into clinical use. In particular, the cancer metastasis gene Osteopontin has been investigated extensively but it has not yet been applied to routine diagnostics. Here, we
Publikováno v:
British Journal of Cancer
Background: Only a fraction of molecular cancer markers identified in the scientific literature have found clinical use. Specifically, few predictors of invasiveness are established in diagnostics. Meta-analysis is a valuable tool for biomarker valid
Autor:
Jerome W. Kosmeder, Gary Pestano, Kristie A. Vanpatten, Julia Ashworth-Sharpe, Anne Carpenter, Mark Lefever, Ned C. Haubein, Chris Bieniarz, Janice Riley, John Palting, Scott Lett, Philip Miller
Publikováno v:
The FASEB Journal. 22
Publikováno v:
Journal of chemical information and computer sciences. 43(1)
Advances in computing power have made it possible to study solvated molecules using ab initio quantum chemistry. Inclusion of discrete solvent molecules is required to determine geometric information about solute/solvent clusters. Monte Carlo methods