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Issue Date
Title
Author(s)
2010-08-18
Higher-accuracy schemes for approximating the Hessian from electronic structure calculations in chemical dynamics simulations
Lourderaj, Upakarasamy
2010-10-13
Chemical Dynamics Simulations of CO2 in the Ground and First Excited Bend States Colliding with a Perfluorinated Self-Assembled Monolayer
Lourderaj, Upakarasamy
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Computational chemistry
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Energy
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Molecules
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Scattering
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