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Program Report http://oasys.acs.org/acs/230nm/comp/programs/programreport.cgi?p... Program Report COMP 1 Modeling spontaneous formation of precursor nanoparticles in clear-solution zeolite
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Document Date: 2011-07-01 06:30:52


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energy levels / analytic potential energy functions / free energy calculations / Potential energy surfaces / chemical reaction / aqueous solution / mathematical software packages / potential energy functions / numerical applications / energy / finite systems / symbolic processors / lower activation energy / soft condensed systems / spreadsheet software packages / molecular electronics / continuum-based free energy / nanoscale systems / clear solutions / zero-point energy difference / higher energy storage capacity / chemical equilibrium / free energy / natural products / thermal energy / solvation free energy / polycyclic systems / industrial applications / macro-scale systems / symbolic and numerical mathematics processor / numerical software interfaces / polymer solutions / energy storage capacity using density functional theory / energy calculations / nanotube-based devices / actual working devices / chemical synthesis / gas-phase energies / energy density / energy minima / multiscale simulation tools / recent applications / energy difference / molecular systems / algebra tools / singlet-triplet energy differences / model systems / unusual systems / data processing techniques / environment friendly energy sources / high energy density materials / energy surface / petroleum oil / signal processing techniques / computing algebra tools / /

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