| 1 |
Methanethiol Binding Strengths and Deprotonation Energies in Zn(II)-Imidazole Complexes from M05-2X and MP2 Theories: Coordination Number and Geometry Influences Relevant to Zinc Enzymes
Linder DP, Rodgers KR
Journal of Physical Chemistry B, 119(37), 12182, 2015 |
| 2 |
The Diagnostic Vibrational Signature of Pentacoordination in Heme Carbonyls
Linder DP, Silvernail NJ, Barabanschikov A, Zhao JY, Alp EE, Sturhahn W, Sage JT, Scheidt WR, Rodgers KR
Journal of the American Chemical Society, 136(28), 9818, 2014 |
| 3 |
Fe-N-O structure and bonding in six-coordinate {FeNO}(6) porphyrinates containing imidazole: Implications for reactivity of coordinated NO
Linder DP, Rodgers KR
Inorganic Chemistry, 44(5), 1367, 2005 |
| 4 |
Structural, electronic, and vibrational characterization of Fe-HNO porphyrinates by density functional theory
Linder DP, Rodgers KR
Inorganic Chemistry, 44(23), 8259, 2005 |
| 5 |
A thiazole-containing tripodal ligand: Synthesis, characterization, and interactions with metal ions and matrix metalloproteinases
He HS, Linder DP, Rodgers KR, Chakraborty I, Arif AM
Inorganic Chemistry, 43(7), 2392, 2004 |
| 6 |
A theoretical study of imidazole- and thiol-based zinc binding groups relevant to inhibition of metzincins
Linder DP, Rodgers KR
Journal of Physical Chemistry B, 108(36), 13839, 2004 |
| 7 |
Five-coordinate (FeNO)-N-III and (FeCO)-C-III porphyrinates: Where are the electrons and why does it matter?
Linder DP, Rodgers KR, Banister J, Wyllie GRA, Ellison MK, Scheidt WR
Journal of the American Chemical Society, 126(43), 14136, 2004 |
| 8 |
Thermal Rate Constants for R+n2H2-)Rh+n2H (R=h,Oh,NH2) Determined from Multireference Configuration-Interaction and Variational Transition-State Theory Calculations
Linder DP, Duan XF, Page M
Journal of Chemical Physics, 104(16), 6298, 1996 |
| 9 |
Ab-Initio Determination of the Energy Barriers and Rate Constants for Hobo+hf-)Fbo+h2O and Obbo+hf-)Fbo+hbo
Linder DP, Page M
Journal of Chemical Physics, 103(19), 8538, 1995 |
| 10 |
Ab-Initio Variational Transition-State Theory Calculations for the H+nh2(--)H-2+nh Hydrogen Abstraction Reaction on the Triplet Potential-Energy Surface
Linder DP, Duan XF, Page M
Journal of Physical Chemistry, 99(29), 11458, 1995 |
