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Dmitry V. Khoroshun, Ph.D. - Publications

Affiliations: 
Emory University, Atlanta, GA 
Area:
Theoretical Chemistry
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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
2007 Khoroshun DV, Musaev DG, Morokuma K. Electronic reorganization: origin of sigma trans promotion effect. Journal of Computational Chemistry. 28: 423-41. PMID 17143866 DOI: 10.1002/Jcc.20551  0.5
2003 Khoroshun DV, Inagaki A, Suzuki H, Vyboishchikov SF, Musaev DG, Morokuma K. Versatile and cooperative reactivity of a triruthenium polyhydride cluster. A computational study. Journal of the American Chemical Society. 125: 9910-1. PMID 12914439 DOI: 10.1021/Ja036027A  0.44
2003 Khoroshun DV, Warncke K, Ke SC, Musaev DG, Morokuma K. Internal degrees of freedom, structural motifs, and conformational energetics of the 5'-deoxyadenosyl radical: implications for function in adenosylcobalamin-dependent enzymes. A computational study. Journal of the American Chemical Society. 125: 570-9. PMID 12517173 DOI: 10.1021/Ja028393K  0.443
2002 Khoroshun DV, Musaev DG, Morokuma K. Sigma trans promotion effect in transition metal complexes: A manifestation of the composite nature of binding energy Molecular Physics. 100: 523-532. DOI: 10.1080/00268970110090557  0.451
2001 Morokuma K, Musaev DG, Vreven T, Basch H, Torrent M, Khoroshun DV. Model studies of the structures, reactivities, and reaction mechanisms of metalloenzymes Ibm Journal of Research and Development. 45: 367-395. DOI: 10.1147/Rd.453.0367  0.434
2001 Khoroshun DV, Musaev DG, Vreven T, Morokuma K. Theoretical study on Bis(imino)pyridyl-Fe(II) olefin poly- and oligomerization catalysts. Dominance of different spin states in propagation and β-hydride transfer pathways Organometallics. 20: 2007-2026. DOI: 10.1021/Om010126K  0.452
1999 Khoroshun DV, Musaev aDG, Morokuma K. Does Reaction of Three-Coordinate Molybdenum(III) with N2O Proceed via the Same Mechanism as with N2? A Theoretical Study Organometallics. 18: 5653-5660. DOI: 10.1021/Om990396R  0.49
1999 Khoroshun DV, Musaev DG, Morokuma K. Does reaction of three-coordinate molybdenum(III) with N2O proceed via the same mechanism as with N2? A theoretical study Organometallics. 18: 5653-5660.  0.307
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