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Application

Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.00850379223167088 Amorphous Cell 0.007814295564238107 CASTEP 1.0 COMPASS 0.014479430016088255 COMPASS III 0.003907147782119053 COSMOperm 0.0 COSMOquick 0.0 Classical Simulations 0.04389795449321995 Crystallization 0.011491611123879569 DFTB Plus 0.001378993334865548 DMol3 0.030797517811997244 Discover 0.0 Forcite 0.026200873362445413 GULP 0.0036773155596414617 Kinetix 0.0 Morphology 0.001378993334865548 ONETEP 9.193288899103654E-4 Polymorph 4.596644449551827E-4 QMERA 0.0 Quantum Mechanics 1.0 Reflex 0.009193288899103653 Reflex Plus 2.2983222247759135E-4 Semi-empirical 0.0016088255573431394 Sorption 0.002757986669731096 X-Cell 4.596644449551827E-4

Year

2024 0.510306917086578 2025 1.0 2026 0.4814475492441594 2027 0.0

Keywords

target 1.0 energy 0.3 optical 0.17971014492753623 potential 0.17072463768115942 between 0.16318840579710145 stability 0.1443478260869565 analysis 0.1373913043478261 band 0.12927536231884057 performance 0.12579710144927536 experimental 0.08695652173913043 mechanical 0.07652173913043478 promising 0.059420289855072465 stable 0.04579710144927536 reveal 0.029275362318840578 enhanced 0.022318840579710144 crystal 0.017681159420289853 surface 0.014492753623188406 formation 0.013043478260869565 temperature 0.012753623188405797 phase 0.008115942028985508 novel 0.00782608695652174 optoelectronic 0.00608695652173913 strong 0.002318840579710145 efficient 8.695652173913044E-4 higher 0.0
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