Elena Laura Coitiño
Elena Laura Coitiño
Prof. de Química Teórica&Computacional, Instituto de Quím. Biológica-Fac.Ciencias, UdelaR
Verified email at fcien.edu.uy
TitleCited byYear
POLYRATE, version 9.7
JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis, 2007
2762007
POLYRATE-version 2008
J Zheng
http://comp. chem. umn. edu/polyrate/, 2008
1642008
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
1401998
Gaussrate, version 2009-A
J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitino, BA Ellingson, ...
University of Minnesota: Minneapolis, MN, 2010
1142010
Improved methods for variational transition state theory with multidimensional tunneling and their applications
YY Chuang
1131999
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
972000
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
912015
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, 2013
862013
Polyrate
J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ...
University of Minnesota: Minneapolis, MN, 2010
802010
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
691998
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
522010
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
521995
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
492014
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), e0115349, 2015
462015
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
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
461996
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
461989
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Articles 1–20