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Application
Materials Studio
0.0
Modules
Adsorption Locator
0.0013029315960912053
Amorphous Cell
0.006514657980456026
CASTEP
0.05276872964169381
COMPASS
0.010423452768729642
COMPASS III
0.0
Classical Simulations
1.0
Conformers
0.0
Crystallization
0.0013029315960912053
DFTB Plus
0.003257328990228013
DMol3
0.024104234527687295
Discover
6.514657980456026E-4
Forcite
0.018892508143322474
GULP
1.0
ONETEP
6.514657980456026E-4
QMERA
0.012377850162866449
Quantum Mechanics
0.07035830618892508
Reflex
6.514657980456026E-4
Semi-empirical
0.016286644951140065
Sorption
0.005211726384364821
X-Cell
0.0
Year
2011
0.0
2015
0.25301204819277107
2016
0.6325301204819277
2017
0.9096385542168675
2018
0.9337349397590361
2019
0.9156626506024096
2020
0.7951807228915663
2021
1.0
2022
0.7831325301204819
2023
0.891566265060241
2024
0.9457831325301205
2025
0.8012048192771084
2026
0.3132530120481928
Keywords
target
1.0
energy
0.2509593246354566
between
0.21642363775901766
experimental
0.15272448196469685
potential
0.09900230237912509
temperature
0.08902532617037605
well
0.07981580966999233
lattice
0.07214121258633922
formation
0.05525709900230238
applied
0.047582501918649274
chemical
0.04681504221028396
analysis
0.043745203376822715
oxygen
0.026093630084420567
defect
0.022256331542594012
phonon
0.022256331542594012
large
0.021488871834228703
mechanical
0.01841903300076746
understanding
0.017651573292402148
crystal
0.015349194167306216
higher
0.013046815042210284
site
0.00920951650038373
type
0.00844205679201842
solid
0.005372217958557176
role
0.003837298541826554
including
0.0
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