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Application
Materials Studio
1.0
Solvation Chemistry
0.0
Modules
Adsorption Locator
0.008466297622924128
Amorphous Cell
0.007815043959622273
CASTEP
1.0
COMPASS
0.013025073266037121
COMPASS III
0.00488440247476392
COSMOperm
0.0
COSMOquick
0.0
Classical Simulations
0.045913383262780855
Crystallization
0.011396939107782481
DFTB Plus
9.768804949527841E-4
DMol3
0.03028329534353631
Discover
0.0
Forcite
0.027352653858677956
GULP
0.004233148811462064
Kinetix
0.0
Morphology
0.0016281341582546401
ONETEP
9.768804949527841E-4
Polymorph
6.512536633018561E-4
QMERA
0.0
Quantum Mechanics
1.0
Reflex
0.008466297622924128
Reflex Plus
3.2562683165092806E-4
Semi-empirical
0.0013025073266037122
Sorption
0.0019537609899055682
X-Cell
3.2562683165092806E-4
Year
2024
0.09500542888165038
2025
1.0
2026
0.5705754614549403
2027
0.0
Keywords
target
1.0
energy
0.304220643543669
optical
0.18595904722106144
potential
0.18219807772670288
between
0.1642290012536565
stability
0.1554534057668199
analysis
0.15169243627246135
performance
0.14625992478061012
band
0.1270371918094442
mechanical
0.08817384036773925
experimental
0.08399498537400753
promising
0.07981613038027581
reveal
0.055578771416631846
stable
0.04931048892603427
enhanced
0.041788549937317176
formation
0.020476389469285417
strong
0.01964061847053907
temperature
0.01964061847053907
phase
0.015879648976180525
efficient
0.012536564981195153
crystal
0.010865022983702465
optoelectronic
0.010865022983702465
novel
0.010447137484329294
surface
0.008775595486836606
including
0.0
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