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Showing results 1 to 7 of 7

1
A delicate electronic balance between metal and ligand in [Cu-P-Cu-P] diamondoids: Oxidation state dependent plasticity and the formation of a singlet diradicaloid

Rhee, Young Min; Head-Gordon, Martin, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.130, no.12, pp.3878 - 3887, 2008-03

2
A fast implementation of perfect pairing and imperfect pairing using the resolution of the identity approximation

Sodt, A; Beran, GJO; Jung, Yousung; Austin, B; Head-Gordon, M, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.2, no.2, pp.300 - 305, 2006

3
Combined Spectroscopic and Computational Analysis of the Vibrational Properties of Vitamin B-12 in its Co3+, Co2+, and Co1+ Oxidation States

Park, Kiyoung; Brunold, Thomas C., JOURNAL OF PHYSICAL CHEMISTRY B, v.117, no.18, pp.5397 - 5410, 2013-05

4
Development of Force Field Parameters for Oxyluciferin on its Electronic Ground and Excited States

Song, Chang-Ik; Rhee, Young Min, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.111, no.15, pp.4091 - 4105, 2011-12

5
Elucidation of the Fe(IV)=O intermediate in the catalytic cycle of the halogenase SyrB2

Wong, Shaun D.; Srnec, Martin; Matthews, Megan L.; Liu, Lei V.; Kwak, Yeonju; Park, Kiyoung; Bell, Caleb B., III; et al, NATURE, v.499, no.7458, pp.320 - 320, 2013-07

6
Resonance Raman spectroscopic study of the interaction between Co(II)rrinoids and the ATP:corrinoid adenosyltransferase PduO from Lactobacillus reuteri

Park, Kiyoung; Mera, Paola E.; Escalante-Semerena, Jorge C.; Brunold, Thomas C., JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, v.21, no.5-6, pp.669 - 681, 2016-09

7
Scaled opposite spin second order Moller-Plesset theory with improved physical description of long-range dispersion interactions

Lochan, RC; Jung, Yousung; Head-Gordon, M, JOURNAL OF PHYSICAL CHEMISTRY A, v.109, no.33, pp.7598 - 7605, 2005-08

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