| 1 | How iron-containing proteins control dioxygen chemistry: a detailed atomic level description via accurate quantum chemical and mixed quantum mechanics/molecular mechanics calculations Friesner, RA; Baik, Mu-Hyun; Gherman, BF; Guallar, V; Wirstam, M; Murphy, RB; Lippard, SJ, COORDINATION CHEMISTRY REVIEWS, v.238, pp.267 - 290, 2003-03 |
| 2 | Theoretical studies of diiron(II) complexes that model features of the dioxygen-activating centers in non-heme diiron enzymes Baik, Mu-Hyun; Lee, D; Friesner, RA; Lippard, SJ, ISRAEL JOURNAL OF CHEMISTRY, v.41, no.3, pp.173 - 186, 2001 |
| 3 | Computing redox potentials in solution: Density functional theory as a tool for rational design of redox agents Baik, Mu-Hyun; Friesner, RA, JOURNAL OF PHYSICAL CHEMISTRY A, v.106, no.32, pp.7407 - 7412, 2002-08 |
| 4 | A non-classical hydrogen bond in the molybdenum arene complex [eta(6)-C6H5C6H3(Ph)OH]Mo(PMe3)(3): evidence that hydrogen bonding facilitates oxidative addition of the O-H bond Hascall, T; Baik, Mu-Hyun; Bridgewater, BA; Shin, JH; Churchill, DG; Friesner, RA; Parkin, G, CHEMICAL COMMUNICATIONS, no.22, pp.2644 - 2645, 2002-11 |
| 5 | An experimental and computational analysis of the formation of the terminal nitrido complex (eta(3)-Cp*)(2)Mo(N)(N-3) by elimination of N-2 from CP*Mo-2(N-3)(2): The barrier to elimination is strongly influenced by the exo versus endo configuration of the azide ligand Shin, JH; Bridgewater, BM; Churchill, DG; Baik, Mu-Hyun; Friesner, RA; Parkin, G, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.123, no.41, pp.10111 - 10112, 2001-10 |
| 6 | Ab initio quantum calculation of the diabatic coupling matrix elements for the self-exchange redox couples M(Cp)(2)(0/+) (M = Fe, Co; Cp Cp = C5H5) Baik, Mu-Hyun; Crystal, JB; Friesner, RA, INORGANIC CHEMISTRY, v.41, no.23, pp.5926 - 5927, 2002-11 |
| 7 | Theoretical investigation of the metal-metal interaction in dimolybdenum complexes with bridging hydride and methyl ligands Baik, Mu-Hyun; Friesner, RA; Parkin, G, POLYHEDRON, v.23, no.17, pp.2879 - 2900, 2004-11 |
| 8 | Theoretical study of cisplatin binding to purine bases: Why does cisplatin prefer guanine over adenine? Baik, Mu-Hyun; Friesner, RA; Lippard, SJ, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.125, no.46, pp.14082 - 14092, 2003-11 |
| 9 | Dioxygen activation in methane monooxygenase: A theoretical study Gherman, BF; Baik, Mu-Hyun; Lippard, SJ; Friesner, RA, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.126, no.9, pp.2978 - 2990, 2004-03 |
| 10 | Peripheral heme substituents control the hydrogen-atom abstraction chemistry in cytochromes P450 Guallar, V; Baik, Mu-Hyun; Lippard, SJ; Friesner, RA, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.100, no.12, pp.6998 - 7002, 2003-06 |
