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Application

Discovery Studio 0.0 Materials Studio 1.0 Solvation Chemistry 0.0071174377224199285

Modules

Adsorption Locator 0.09271523178807947 Amorphous Cell 0.2367549668874172 Blends 0.004966887417218543 CASTEP 0.6821192052980133 CDOCKER 0.008278145695364239 CHARMm 0.013245033112582781 COMPASS 0.43211920529801323 COMPASS III 0.023178807947019868 COSMObase 0.0 COSMOconf 0.0016556291390728477 COSMOperm 0.0016556291390728477 COSMOplex 0.0 COSMOtherm 0.09437086092715231 Catalyst 0.016556291390728478 Classical Simulations 0.9056291390728477 Conformers 0.004966887417218543 Crystallization 0.1076158940397351 DFTB Plus 0.0016556291390728477 DMol3 0.34105960264900664 DPD 0.006622516556291391 Discover 0.0016556291390728477 Forcite 0.6076158940397351 GULP 0.059602649006622516 LibDock 0.0016556291390728477 LigandFit 0.0 MODELER 0.0033112582781456954 MesoDyn 0.0033112582781456954 Mesocite 0.008278145695364239 Mesoscale 0.016556291390728478 Morphology 0.023178807947019868 ONETEP 0.0033112582781456954 Polymorph 0.0033112582781456954 QMERA 0.0 QSAR 0.0016556291390728477 Quantum Mechanics 1.0 Reflex 0.076158940397351 Reflex Plus 0.0033112582781456954 Reflex QPA 0.0 Semi-empirical 0.006622516556291391 Sorption 0.06456953642384106 Synthia 0.0 TURBOMOLE 0.0016556291390728477 VAMP 0.0016556291390728477 Visualization 0.13079470198675497 X-Cell 0.004966887417218543

Year

2023 0.0

Keywords

target 1.0 between 0.21702525724976612 energy 0.18521983161833488 experimental 0.12909260991580918 surface 0.0823199251637044 adsorption 0.07577174929840973 potential 0.06454630495790459 performance 0.0617399438727783 chemical 0.05893358278765201 temperature 0.05519176800748363 analysis 0.04490177736202058 cell 0.03648269410664172 higher 0.03461178671655753 mechanism 0.02806361085126286 well 0.021515434985968196 formation 0.01403180542563143 design 0.01216089803554724 novel 0.01216089803554724 stability 0.01216089803554724 amorphous 0.007483629560336763 metal 0.005612722170252572 applied 0.002806361085126286 interaction 0.002806361085126286 stable 0.002806361085126286 synthesized 0.0
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