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Application

Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.010855405992184108 Amorphous Cell 0.026052974381241857 Blends 0.0 CASTEP 0.7003907946157186 COMPASS 0.03256621797655232 COMPASS III 0.0182370820668693 COSMOconf 0.0 COSMOperm 0.0 COSMOtherm 0.0013026487190620929 Classical Simulations 0.09552757273122015 Conformers 0.0 Crystallization 0.011289622231871473 DFTB Plus 0.0013026487190620929 DMol3 0.3191489361702128 Discover 0.0 Forcite 0.06904038211029093 GULP 0.0034737299174989146 Kinetix 4.342162396873643E-4 Morphology 0.0026052974381241857 ONETEP 0.0017368649587494573 Polymorph 8.684324793747286E-4 QMERA 4.342162396873643E-4 QSAR 0.0 Quantum Mechanics 1.0 Reflex 0.007381676074685193 Reflex Plus 0.0 Semi-empirical 0.0026052974381241857 Sorption 0.010421189752496743 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0

Year

2025 0.5370741482965932 2026 1.0 2027 0.0

Keywords

target 1.0 energy 0.31969157769869516 performance 0.19691577698695137 between 0.1785290628706999 analysis 0.16548042704626334 potential 0.16251482799525505 stability 0.15599051008303677 promising 0.0937129300118624 reveal 0.07888493475682087 optical 0.0753262158956109 experimental 0.07413997627520759 band 0.06702253855278767 efficient 0.06702253855278767 enhanced 0.06168446026097272 adsorption 0.05812574139976275 stable 0.05397390272835113 formation 0.04033214709371293 strategy 0.036773428232502965 mechanical 0.030249110320284697 strong 0.028469750889679714 surface 0.026690391459074734 temperature 0.026690391459074734 design 0.020759193357058125 metal 0.0071174377224199285 novel 0.0
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