Elena Laura Coitiño
Elena Laura Coitiño
Prof. de Química Teórica&Computacional, Instituto de Quím. Biológica-Fac.Ciencias, UdelaR
Verified email at fcien.edu.uy
Title
Cited by
Cited by
Year
POLYRATE, version 9.7
JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis, 2007
2772007
POLYRATE-version 2008
http://comp. chem. umn. edu/polyrate/, 2008
201*2008
Interpolated variational transition-state theory by mapping
JC Corchado, EL Coitino, YY Chuang, PL Fast, DG Truhlar
The Journal of Physical Chemistry A 102 (14), 2424-2438, 1998
1451998
Gaussrate, version 2009-A
J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitino, BA Ellingson, ...
University of Minnesota, Minneapolis, 2010
1332010
Improved methods for variational transition state theory with multidimensional tunneling and their applications
YY Chuang
1201999
Reaction of hydrogen sulfide with disulfide and sulfenic acid to form the strongly nucleophilic persulfide
Cuevasanta, Ernesto, M Lange, J Bonanata, EL Coitiño, G FerrerSueta, ...
Journal of Biological Chemistry, 2015
1072015
POLYRATE, version 7.0
R Steckler, YY Chuang, EL Coitino, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis, 1997
1061997
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
YY Chuang, EL Coitiño, DG Truhlar
The Journal of Physical Chemistry A 104 (3), 446-450, 2000
982000
Molecular Mechanisms for the Reaction Between OH Radicals and Proline: Insights on the Role as Reactive Oxygen Species Scavenger in Plant Stress
S Signorelli, EL Coitiño, O Borsani, J Monza
The Journal of Physical Chemistry B 118 (1), 37-47, 2014
902014
Polyrate
J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ...
University of Minnesota, 2010
882010
Dual-Level Direct Dynamics Calculations of Deuterium and Carbon-13 Kinetic Isotope Effects for the Reaction Cl + CH4
O Roberto-Neto, EL Coitiño, DG Truhlar
The Journal of Physical Chemistry A 102 (24), 4568-4578, 1998
681998
GAUSSRATE, version 9.7
JC Corchado, YY Chuang, EL Coitino, DG Truhlar
University of Minnesota: Minneapolis, MN 11, 2007
672007
Gaussrate
J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitiño, BA Ellingson, ...
University of Minnesota, 2010
592010
Connecting proline and γ-aminobutyric acid in stressed plants through non-enzymatic reactions
S Signorelli, PD Dans, EL Coitiño, O Borsani, J Monza
PLoS One 10 (3), 2015
582015
On the evaluation of the solvent polarization apparent charges in the polarizable continuum model: a new formulation
EL Coitiño, J Tomasi, R Cammi
Journal of Computational Chemistry 16 (1), 20-30, 1995
531995
Analysis of the gas‐phase addition of water to formaldehyde: A semiempirical and ab initio study of bifunctional catalysis by H2O
ON Ventura, EL Coitiño, A Lledós, J Bertran
Journal of computational chemistry 13 (9), 1037-1046, 1992
511992
Deconstructing the catalytic efficiency of peroxiredoxin-5 peroxidatic cysteine
S Portillo-Ledesma, F Sardi, B Manta, MV Tourn, A Clippe, B Knoops, ...
Biochemistry 53 (38), 6113-6125, 2014
502014
AM1 study of hydrogen bonded complexes of water
ON Ventura, EL Coitiño, A Lledós, J Bertrán
Journal of Molecular Structure: THEOCHEM 187, 55-68, 1989
491989
Correlated capped subsystem calculations as a way to include electron correlation locally: a test for substituent effects on bond energies
EL Coitiño, DG Truhlar, K Morokuma
Chemical physics letters 259 (1-2), 159-164, 1996
481996
POLYRATE, version 8.5. 1
JC Corchado, YY Chuang, PL Fast, J Villa, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis 74, 2000
462000
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