Index Catalog // ScholarsArchive@OSU

Creator:: Brueckner, Alexander C.
Abstract:: My work has focused on streamlining the study of organic compound structure, properties, and reactions by 1) understanding and using available computational software, 2) developing software packages to facilitate data manipulation as well as augment public programs, and 3) applying public and in-house developed software to further the understanding of...
Resource Type:: Dissertation
Full Text:: , M. N. J. Med. Chem. 2015, 58, 3682-3692; (e) Shirley, M. Drugs 2016, 76, 405-411; (f) Han, L.-Q

Creator:: Ogba, O. Maduka
Abstract:: In this Dissertation, the mechanism and stereomechanics of complex organocatalysis and reaction processes are disclosed. The technologies and protocols currently being developed and utilized to efficiently investigate these systems using theory are highlighted. A detailed computational study of peptide-catalyzed acylations is disclosed. In particular, the magnitude of all possible non-bonding...
Resource Type:: Dissertation
Full Text:: . D.; Lipton, M. J. Am. Chem. Soc. 1996, 118, 4910.   10 Machajewski, T. D.; Wong, C. H. Angew. Chem

Creator:: Johnston, Ryne Connell
Abstract:: My work on computing complex catalyzed organic transformations reveals that only a few subtle chemical factors, e.g. non-classical hydrogen bonding, (hyper)conjugation and steric effects, common across different catalyst manifolds are critical for catalysis and selectivity. Rational manipulation and exploitation of these factors has led to improved catalyst designs, which has...
Resource Type:: Dissertation

Creator:: Mustard, Thomas J. L.
Abstract:: Automation of computational chemistry, while only an engineering feat, has the potential to accelerating computational research be removing all by the science. The work in this thesis mainly discusses fundamental understanding of complex chemical systems. What is not obvious are the numerous tasks necessary for this fundamental understanding. Under the...
Resource Type:: Dissertation

ScholarsArchive@OSU