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Application

Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.011235955056179775 Amorphous Cell 0.025403028822667317 Blends 0.0 CASTEP 0.7000488519785051 COMPASS 0.03175378602833415 COMPASS III 0.018563751831949193 COSMOconf 0.0 COSMOperm 0.0 COSMOtherm 9.770395701025891E-4 Classical Simulations 0.09428431851489985 Conformers 0.0 Crystallization 0.012212994626282364 DFTB Plus 0.0014655593551538837 DMol3 0.3190034196384954 Discover 0.0 Forcite 0.06692721055202736 GULP 0.003419638495359062 Kinetix 4.885197850512946E-4 Morphology 0.0029311187103077674 ONETEP 0.0019540791402051783 Polymorph 9.770395701025891E-4 QMERA 4.885197850512946E-4 QSAR 0.0 Quantum Mechanics 1.0 Reflex 0.007816316560820713 Reflex Plus 0.0 Semi-empirical 0.0029311187103077674 Sorption 0.010258915486077186 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0

Year

2025 0.427076064200977 2026 1.0 2027 0.0

Keywords

target 1.0 energy 0.33016304347826086 performance 0.203125 between 0.18342391304347827 analysis 0.17255434782608695 stability 0.1637228260869565 potential 0.16304347826086957 promising 0.10326086956521739 reveal 0.08491847826086957 optical 0.08423913043478261 efficient 0.07880434782608696 experimental 0.07608695652173914 band 0.07336956521739131 enhanced 0.06793478260869565 stable 0.06182065217391304 adsorption 0.06046195652173913 formation 0.04483695652173913 strategy 0.042798913043478264 mechanical 0.03736413043478261 strong 0.03125 temperature 0.029891304347826088 surface 0.026494565217391304 design 0.021739130434782608 metal 0.007472826086956522 novel 0.0
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