| 1 |
Dismantling and Rebuilding the Trisulfide Cofactor Demonstrates Its Essential Role in Human Sulfide Quinone Oxidoreductase
Landry AP, Moon S, Bonanata J, Cho US, Coitino EL, Banerjee R
Journal of the American Chemical Society, 142(33), 14295, 2020 |
| 2 |
Molecular Mechanisms for the Reaction Between (OH)-O-center dot Radicals and Pro line: Insights on the Role as Reactive Oxygen Species Scavenger in Plant Stress
Signorelli S, Coitino EL, Borsani O, Monza J
Journal of Physical Chemistry B, 118(1), 37, 2014 |
| 3 |
How should we calculate transition state geometries for radical reactions? The effect of spin contamination on the prediction of geometries for open-shell saddle points
Chuang YY, Coitino EL, Truhlar DG
Journal of Physical Chemistry A, 104(3), 446, 2000 |
| 4 |
Interpolated variational transition-state theory by mapping
Corchado JC, Coitino EL, Chuang YY, Fast PL, Truhlar DG
Journal of Physical Chemistry A, 102(14), 2424, 1998 |
| 5 |
Direct dynamics calculations of deuterium and carbon-13 kinetic isotope effects for the reaction Cl+CH4
Roberto-Neto O, Coitino EL, Truhlar DG
Journal of Physical Chemistry A, 102(24), 4568, 1998 |
| 6 |
Degenerate lithium-hydrogen exchange reactions : An alternative mechanism for metalation of CH4 in gas phase and tetrahydrofuran solution
Coitino EL, Ciuffarin E, Floris FM, Tomasi J
Journal of Physical Chemistry A, 102(43), 8369, 1998 |
| 7 |
Reaction-path and dual-level dynamics calculations of the CH3F+OH reaction
Espinosa-Garcia J, Coitino EL, Gonzalez-Lafont A, Lluch JM
Journal of Physical Chemistry A, 102(52), 10715, 1998 |
| 8 |
Correlated Capped Subsystem Method for the Calculation of Substituent Effects on Bond-Energies
Noland M, Coitino EL, Truhlar DG
Journal of Physical Chemistry A, 101(7), 1193, 1997 |
| 9 |
Systematic Analysis of Bond-Energies Calculated by the Integrated Molecular Orbital-Molecular Orbital Method
Coitino EL, Truhlar DG
Journal of Physical Chemistry A, 101(25), 4641, 1997 |
| 10 |
High-Level Ab-Initio Prediction of the Structure and Infrared-Spectra of Formaldehyde Water Radical-Cation Complexes
Coitino EL, Pereira A, Ventura ON
Journal of Chemical Physics, 102(7), 2833, 1995 |
