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Showing results 1 to 8 of 8

1
Computational and spectroscopic characterization of key intermediates of the Selective Catalytic Reduction cycle of NO on zeolite-supported Cu catalyst

Crandell, Douglas W.; Zhu, Haiyang; Yang, Xiaofan; Hochmuth, John; Baik, Mu-Hyun, INORGANICA CHIMICA ACTA, v.430, pp.132 - 143, 2015-05

2
How a [Co-IV - O](2+) Fragment Oxidizes Water: Involvement of a Biradicaloid [Co-II-(center dot O center dot)](2+) Species in Forming the O-O Bond

Crandell, Douglas W.; Ghosh, Soumya; Berlinguette, Curtis P.; Baik, Mu-Hyun, CHEMSUSCHEM, v.8, no.5, pp.844 - 852, 2015-03

3
Important role of ancillary ligand in the emission behaviours of blue-emitting heteroleptic Ir(III) complexes

Cho, Yang-Jin; Kim, So-Yoen; Kim, Jin-Hyoung; Crandell, Douglas W.; Baik, Mu-Hyun; Lee, Jiwon; Kim, Chul Hoon; et al, JOURNAL OF MATERIALS CHEMISTRY C, v.5, no.18, pp.4480 - 4487, 2017-05

4
Intramolecular Oxyl Radical Coupling Promotes O-O Bond Formation in a Homogeneous Mononuclear Mn-based Water Oxidation Catalyst: A Computational Mechanistic Investigation

Crandell, Douglas W.; Xu, Song; Smith, Jeremy M.; Baik, Mu-Hyun, INORGANIC CHEMISTRY, v.56, no.8, pp.4435 - 4445, 2017-04

5
Mechanistic study of styrene aziridination by iron(iv) nitrides

Crandell, Douglas W.; Munoz, Salvador B., III; Smith, Jeremy M.; Baik, Mu-Hyun, CHEMICAL SCIENCE, v.9, no.45, pp.8542 - 8552, 2018-12

6
Switching the Enantioselectivity in Catalytic [4+1] Cycloadditions by Changing the Metal Center: Principles of Inverting the Stereochemical Preference of an Asymmetric Catalysis Revealed by DFT Calculations

Mazumder, Shivnath; Crandell, Douglas W.; Lord, Richard L.; Baik, Mu-Hyun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.136, no.26, pp.9414 - 9423, 2014-07

7
The mechanism of selective catalytic reduction of NOx on Cu-SSZ-13-a computational study

Crandell, Douglas W.; Zhu, Haiyang; Yang, Xiaofan; Hochmuth, John; Baik, Mu-Hyun, DALTON TRANSACTIONS, v.46, no.2, pp.369 - 377, 2017

8
The origin of the ligand-controlled regioselectivity in Rh-catalyzed [(2+2)+2] carbocyclizations: steric vs. stereoelectronic effects

Crandell, Douglas W.; Mazumde, Shivnath; Evans, P. Andrew; Baik, Mu-Hyun, CHEMICAL SCIENCE, v.6, no.12, pp.6896 - 6900, 2015

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