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Application
Materials Studio
0.0
Modules
Adsorption Locator
0.011235955056179775
Amorphous Cell
0.008304836345872008
CASTEP
1.0
COMPASS
0.015144113336590131
COMPASS III
0.003419638495359062
Classical Simulations
0.0449438202247191
Crystallization
0.009281875915974597
DFTB Plus
9.770395701025891E-4
DMol3
0.025891548607718612
Forcite
0.02344894968246214
GULP
0.0039081582804103565
Kinetix
0.0
Morphology
9.770395701025891E-4
ONETEP
4.885197850512946E-4
Polymorph
0.0
Quantum Mechanics
1.0
Reflex
0.006839276990718124
Semi-empirical
9.770395701025891E-4
Sorption
9.770395701025891E-4
X-Cell
0.0
Year
2024
0.386801099908341
2025
1.0
2026
0.4867094408799267
2027
0.0
Keywords
target
1.0
energy
0.3037354562155542
optical
0.17513778322106552
potential
0.17085119412124924
between
0.15860379669320268
analysis
0.14574402939375383
stability
0.14023270055113288
performance
0.129210042865891
band
0.1157379056950398
experimental
0.08695652173913043
mechanical
0.07348438456827924
stable
0.065523576240049
promising
0.06001224739742805
reveal
0.0385793018983466
enhanced
0.027556644213104716
surface
0.02510716472749541
crystal
0.02449479485609308
strong
0.01653398652786283
novel
0.015921616656460504
phase
0.015921616656460504
temperature
0.015309246785058175
formation
0.007960808328230252
higher
0.004286589099816289
including
0.003061849357011635
chemical
0.0
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