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Application
Materials Studio
0.0
Modules
Adsorption Locator
7.815552950371239E-4
Amorphous Cell
0.005470887065259867
CASTEP
0.047284095349745994
COMPASS
0.009378663540445486
COMPASS III
0.0
Classical Simulations
1.0
Conformers
0.0
Crystallization
0.0015631105900742479
DFTB Plus
0.0031262211801484957
DMol3
0.02032043767096522
Discover
3.9077764751856197E-4
Forcite
0.013677217663149667
GULP
1.0
ONETEP
3.9077764751856197E-4
QMERA
0.009378663540445486
QSAR
0.0
Quantum Mechanics
0.06291520125048847
Reflex
0.0011723329425556857
Semi-empirical
0.012895662368112544
Sorption
0.0042985541227041815
X-Cell
0.0
Year
2004
0.0
2005
0.1910828025477707
2006
0.19745222929936307
2007
0.25477707006369427
2008
0.2484076433121019
2009
0.19745222929936307
2010
0.4140127388535032
2011
0.3248407643312102
2012
0.3248407643312102
2013
0.6878980891719745
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
0.2601398601398601
between
0.21491841491841493
experimental
0.1850815850815851
potential
0.09184149184149185
temperature
0.08671328671328671
well
0.08158508158508158
lattice
0.07179487179487179
chemical
0.057342657342657345
formation
0.04801864801864802
applied
0.04195804195804196
analysis
0.035897435897435895
defect
0.032167832167832165
surface
0.029836829836829837
oxygen
0.02937062937062937
crystal
0.028904428904428906
large
0.01724941724941725
type
0.01351981351981352
role
0.0037296037296037296
bulk
0.0032634032634032634
phonon
0.002331002331002331
site
0.0013986013986013986
order
9.324009324009324E-4
understanding
4.662004662004662E-4
phase
0.0
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