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Application
Materials Studio
0.0
Modules
Adsorption Locator
7.104795737122557E-4
Amorphous Cell
0.0053285968028419185
CASTEP
0.047246891651865006
COMPASS
0.009236234458259326
COMPASS III
0.0
Classical Simulations
1.0
Conformers
0.0
Crystallization
0.0017761989342806395
DFTB Plus
0.002841918294849023
DMol3
0.01847246891651865
Discover
7.104795737122557E-4
Forcite
0.012788632326820605
GULP
1.0
Morphology
0.0
ONETEP
3.5523978685612787E-4
QMERA
0.00852575488454707
QSAR
0.0
Quantum Mechanics
0.06145648312611012
Reflex
0.0010657193605683837
Semi-empirical
0.01172291296625222
Sorption
0.004262877442273535
X-Cell
0.0
Year
2004
0.0
2005
0.1910828025477707
2006
0.19745222929936307
2007
0.25477707006369427
2008
0.25477707006369427
2009
0.445859872611465
2010
0.7707006369426752
2011
0.7006369426751592
2012
0.8343949044585988
2013
0.821656050955414
2014
1.0
2015
0.7961783439490446
2016
0.8535031847133758
2017
0.8152866242038217
2018
0.8407643312101911
2019
0.821656050955414
2020
0.6942675159235668
2021
0.910828025477707
2022
0.6815286624203821
2023
0.7961783439490446
2024
0.8535031847133758
2025
0.7006369426751592
2026
0.18471337579617833
Keywords
target
1.0
energy
0.2625580413676657
between
0.21950189953566906
experimental
0.19079780498100465
potential
0.09286618826509076
temperature
0.0899113550021106
well
0.0890671169269734
lattice
0.07133811734909244
chemical
0.06458421274799493
formation
0.048121570282819756
applied
0.04178978471929084
analysis
0.03799071338117349
oxygen
0.03588011819333052
crystal
0.034613761080624736
defect
0.03376952300548755
surface
0.030814689742507388
large
0.018995356690586745
type
0.018995356690586745
bulk
0.008864499788940482
phonon
0.006331785563528915
site
0.006331785563528915
order
0.004643309413254538
phase
0.0033769523005487546
role
0.002532714225411566
higher
0.0
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