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Scott A. McMillan, Ph.D. - Publications

Affiliations: 
Northwestern University, Evanston, IL 
Area:
multiscale modeling, complex kinetics modeling, environmental catalysis, novel biochemical pathways, and polymerization/depolymerization kinetics
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8 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2004 McMillan SA, Snurr RQ, Broadbelt LJ. Interaction of divalent metal cations with ferrierite: Insights from density functional theory Microporous and Mesoporous Materials. 68: 45-53. DOI: 10.1016/J.Micromeso.2003.12.008  0.607
2003 McMillan SA, Haubein NC, Snurr RQ, Broadbelt LJ. Ab initio stochastic optimization of conformational and many-body degrees of freedom. Journal of Chemical Information and Computer Sciences. 43: 1820-8. PMID 14632428 DOI: 10.1021/Ci034038H  0.594
2003 Haubein NC, McMillan SA, Broadbelt LJ. Many-body optimization using an ab initio monte carlo method. Journal of Chemical Information and Computer Sciences. 43: 68-74. PMID 12546540 DOI: 10.1021/Ci0202887  0.617
2003 Mcmillan SA, Snurr RQ, Broadbelt LJ. Origin and Characteristics of Preferential Adsorption on Different Sites in Cobalt-Exchanged Ferrierite Journal of Physical Chemistry B. 107: 13329-13335. DOI: 10.1021/Jp0357166  0.635
2003 McMillan SA, Broadbelt LJ, Snurr RQ. Effect of local framework heterogeneity on NO adsorption in cobalt-ferrierite Journal of Catalysis. 219: 117-125. DOI: 10.1016/S0021-9517(03)00196-9  0.646
2003 McMillan SA, Snurr RQ, Broadbelt LJ. Origin and characteristics of preferential adsorption on different sites in cobalt-exchanged ferrierite Journal of Physical Chemistry B. 107: 13329-13335.  0.579
2002 McMillan SA, Broadbelt LJ, Snurr RQ. Density functional theory investigation of cobalt siting in ferrierite Journal of Physical Chemistry B. 106: 10864-10872. DOI: 10.1021/Jp020215Q  0.629
2001 McMillan SA, Broadbelt LJ, Snurr RQ. Ab initio investigation of cobalt siting in zeolites Acs National Meeting Book of Abstracts. 41: 360-365.  0.508
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