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Application
Materials Studio
1.0
Solvation Chemistry
0.0
Modules
Adsorption Locator
0.013676326929338978
Amorphous Cell
0.024096385542168676
Blends
0.0
CASTEP
0.7017258222077499
COMPASS
0.0325626831650928
COMPASS III
0.015955714750895474
COSMOconf
3.2562683165092806E-4
COSMOperm
0.0
COSMOquick
0.0
COSMOtherm
0.0016281341582546401
Classical Simulations
0.09768804949527841
Conformers
0.0
Crystallization
0.012373819602735266
DFTB Plus
0.0019537609899055682
DMol3
0.31781178769130575
Discover
0.0
Forcite
0.06838163464669489
GULP
0.0035818951481602084
Kinetix
3.2562683165092806E-4
Morphology
0.0026050146532074245
ONETEP
0.0016281341582546401
Polymorph
9.768804949527841E-4
QMERA
3.2562683165092806E-4
QSAR
0.0
Quantum Mechanics
1.0
Reflex
0.0081406707912732
Reflex Plus
3.2562683165092806E-4
Semi-empirical
0.002930641484858352
Sorption
0.010420058612829698
Synthia
0.0
TURBOMOLE
6.512536633018561E-4
VAMP
0.0
X-Cell
0.0
Year
2024
0.0
2025
1.0
2026
0.9691912708600771
2027
0.0
Keywords
target
1.0
energy
0.3098712446351931
performance
0.17896995708154506
between
0.1742489270386266
potential
0.16437768240343348
analysis
0.14721030042918454
stability
0.13605150214592274
optical
0.07854077253218884
promising
0.07811158798283262
experimental
0.06866952789699571
band
0.06652360515021459
reveal
0.0648068669527897
enhanced
0.05278969957081545
efficient
0.05150214592274678
adsorption
0.050643776824034335
stable
0.0407725321888412
formation
0.027467811158798282
surface
0.022746781115879827
mechanical
0.021030042918454936
strategy
0.019313304721030045
strong
0.018454935622317595
temperature
0.016738197424892704
design
0.01587982832618026
novel
0.0034334763948497852
metal
0.0
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