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Application

Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.012283640424343942 Amorphous Cell 0.02680067001675042 Blends 0.0 CASTEP 0.6923506420993858 COMPASS 0.036292573981016193 COMPASS III 0.01786711334450028 COSMOconf 0.0 COSMOperm 0.0 COSMOtherm 0.0011166945840312675 Classical Simulations 0.10161920714684534 Conformers 0.0 Crystallization 0.01340033500837521 DFTB Plus 5.583472920156337E-4 DMol3 0.327749860413177 Discover 0.0 Forcite 0.07314349525404802 GULP 0.00446677833612507 Kinetix 5.583472920156337E-4 Morphology 0.0033500837520938024 ONETEP 0.002233389168062535 Polymorph 0.0011166945840312675 QMERA 5.583472920156337E-4 Quantum Mechanics 1.0 Reflex 0.008375209380234505 Reflex Plus 0.0 Semi-empirical 0.002233389168062535 Sorption 0.00893355667225014 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0

Year

2025 0.2616361071932299 2026 1.0 2027 0.0

Keywords

target 1.0 energy 0.3298804780876494 performance 0.20557768924302788 between 0.17928286852589642 analysis 0.17768924302788844 potential 0.16175298804780877 stability 0.15697211155378485 promising 0.10438247011952191 reveal 0.09083665338645418 efficient 0.08764940239043825 experimental 0.08685258964143426 optical 0.0749003984063745 stable 0.07171314741035857 band 0.06772908366533864 enhanced 0.06693227091633466 adsorption 0.06055776892430279 formation 0.05896414342629482 strategy 0.050199203187251 strong 0.04223107569721116 surface 0.030278884462151396 temperature 0.02549800796812749 mechanical 0.024701195219123506 design 0.01195219123505976 metal 0.011155378486055778 novel 0.0
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