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Daniela S. Mainardi
Daniela S. Mainardi
Thomas C. & Nelda M. Jeffery Professor and Chair of Chemical Engineering, Louisiana Tech
Geverifieerd e-mailadres voor latech.edu
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Structure and dynamics of graphite-supported bimetallic nanoclusters
SP Huang, DS Mainardi, PB Balbuena
Surface Science 545 (3), 163-179, 2003
1832003
Monte Carlo Simulation of Cu-Ni Nanoclusters: Surface Segregation Studies
DS Mainardi, PB Balbuena
Langmuir 17 (6), 2047, 2001
732001
Multi-scale modeling and experimental investigations of geopolymeric gels at elevated temperatures
K Kupwade-Patil, F Soto, A Kunjumon, EN Allouche, DS Mainardi
Computers & Structures 122, 164-177, 2013
542013
Surface segregation in bimetallic nanoclusters: Geometric and thermodynamic effects
DS Mainardi, PB Balbuena
International Journal of Quantum Chemistry 85 (4‐5), 580-591, 2001
432001
Kinetics of Hydrogen Desorption in NaAlH4 and Ti-Containing NaAlH4
GKP Dathar, DS Mainardi
The Journal of Physical Chemistry C 114 (17), 8026-8031, 2010
412010
Hydrogen and Oxygen Adsorption on Rhn (n = 1−6) Clusters
DS Mainardi, PB Balbuena
The Journal of Physical Chemistry A 107 (48), 10370-10380, 2003
392003
Dynamic Monte Carlo simulations of O2 adsorption and reaction on Pt (1 1 1)
DS Mainardi, SR Calvo, APJ Jansen, JJ Lukkien, PB Balbuena
Chemical physics letters 382 (5-6), 553-560, 2003
382003
Quantum chemical modeling of methanol oxidation mechanisms by methanol dehydrogenase enzyme: Effect of substitution of calcium by barium in the active site
NB Idupulapati, DS Mainardi
The Journal of Physical Chemistry A 114 (4), 1887-1896, 2010
232010
Geometry and Stability of BenCm (n = 1−10; m = 1, 2, ..., to 11 − n) Clusters
MM Ghouri, L Yareeda, DS Mainardi
The Journal of Physical Chemistry A 111 (50), 13133-13147, 2007
172007
Coordination and binding of ions in Ca2+-and Ba2+-containing methanol dehydrogenase and interactions with methanol
NB Idupulapati, DS Mainardi
Journal of Molecular Structure: THEOCHEM 901 (1-3), 72-80, 2009
162009
A DMol3 study of the methanol addition–elimination oxidation mechanism by methanol dehydrogenase enzyme
NB Idupulapati, DS Mainardi
Molecular Simulation 34 (10-15), 1057-1064, 2008
162008
Structure and dynamics of Ti–Al–H compounds in Ti-doped NaAlH4
GKP Dathara, DS Mainardi
Molecular Simulation 34 (2), 201-210, 2008
152008
Kinetics of Nitric Oxide and Oxygen Gases on Porous Y-Stabilized ZrO2-Based Sensors
S Killa, L Cui, EP Murray, DS Mainardi
Molecules 18 (8), 9901-9918, 2013
122013
Design and applications of nanomaterials for sensors
JM Seminario
Springer, 2014
92014
Modeling and simulation of electromutagenic processes for multiscale modification of concrete
J Kanno, N Richardson, J Phillips, K Kupwade-Patil, DS Mainardi, ...
Journal of Systemics, Cybernetics and Informatics 7 (2), 69-74, 2009
92009
In Search of Initial Predictors of Fischer–Tropsch Catalytic Activity
S Gyawali, S Godara, FA Soto, DS Mainardi
IEEE Transactions on Nanotechnology 15 (5), 738-745, 2016
72016
Nanotechnology for fuel cell applications
DS Mainardi, NP Mahalik
Micromanufacturing and Nanotechnology, 425-440, 2006
62006
Methanol Electro-Oxidation by Meth anol Dehydrogenase Enzymatic Catalysts: A Computational Study
NB Idupulapati, DS Mainardi
Theory and Experiment in Electrocatalysis, 243-274, 2010
32010
In Search of the Active Site of pMMO Enzyme: Partnership between a K-12 Teacher, a Graduate K-12 Teaching Fellow, and a Research Mentor
KK Bearden, DS Mainardi, T Culligan
Chemical Engineering Education 43 (4), 273-278, 2009
32009
Thermodynamic Profiles of Ti-Doped Sodium Alanates
GKP Dathar, DS Mainardi
The Journal of Physical Chemistry C 113 (33), 15051-15057, 2009
32009
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Artikelen 1–20