Dmitry V. Khoroshun, Ph.D.
Affiliations: | Emory University, Atlanta, GA |
Area:
Theoretical ChemistryGoogle:
"Dmitry Khoroshun"Mean distance: 8.65 | S | N | B | C | P |
Parents
Sign in to add mentor| Keiji Morokuma | grad student | 2002 | Emory | |
| (Theoretical studies of chemical processes: Qualitative electronic structure aspects.) | ||||
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Publications
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| Khoroshun DV, Musaev DG, Morokuma K. (2007) Electronic reorganization: origin of sigma trans promotion effect. Journal of Computational Chemistry. 28: 423-41 |
| Khoroshun DV, Inagaki A, Suzuki H, et al. (2003) Versatile and cooperative reactivity of a triruthenium polyhydride cluster. A computational study. Journal of the American Chemical Society. 125: 9910-1 |
| Khoroshun DV, Warncke K, Ke SC, et al. (2003) 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 |
| Khoroshun DV, Musaev DG, Morokuma K. (2002) Sigma trans promotion effect in transition metal complexes: A manifestation of the composite nature of binding energy Molecular Physics. 100: 523-532 |
| Morokuma K, Musaev DG, Vreven T, et al. (2001) Model studies of the structures, reactivities, and reaction mechanisms of metalloenzymes Ibm Journal of Research and Development. 45: 367-395 |
| Khoroshun DV, Musaev DG, Vreven T, et al. (2001) 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 |
| Khoroshun DV, Musaev aDG, Morokuma K. (1999) Does Reaction of Three-Coordinate Molybdenum(III) with N2O Proceed via the Same Mechanism as with N2? A Theoretical Study Organometallics. 18: 5653-5660 |
| Khoroshun DV, Musaev DG, Morokuma K. (1999) Does reaction of three-coordinate molybdenum(III) with N2O proceed via the same mechanism as with N2? A theoretical study Organometallics. 18: 5653-5660 |