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/vufind/Search/Results?lookfor=%22ReaxFF%22&type=Subject&sort=year%2C+publishDateDaySort_date+desc%2C+id
/vufind/Search/Results?lookfor=%22ReaxFF%22&type=Subject&sort=year%2C+publishDateDaySort_date+desc%2C+id
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PubPharm (276)
1
Modeling the degradation of polypropylene and polystyrene under shock compression and mechanical cleaving using the ReaxFF force field
enthalten in:
Chemosphere
| 2024
von
Panczyk, T.
|
Nieszporek, K.
|
Wolski, P.
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2
Design of saccharide based organic binder for low-grade iron ore pelletization using atomistic simulations and machine learning methods
enthalten in:
Journal of molecular graphics & modelling
| 2024
von
Srivastava, D.
|
Saha, B.
|
Patra, N.
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3
Atomistic Insights into the Influence of High Concentration H2O2/H2O on Al Nanoparticles Combustion : ReaxFF Molecules Dynamics Simulation
enthalten in:
Molecules (Basel, Switzerland)
| 2024
von
Yu, X.
|
Zhang, P.
|
Zhang, H.
| +1
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4
Structural Toughness of Fluorinated-Nitrided Interphase Passivation Layers for Lithium-Ion Batteries : A Reactive Molecular Dynamics Study
enthalten in:
ACS applied materials & interfaces
| 2024
von
Basu, S.
|
Zhu, W.
|
Hwang, G.
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5
Mechanical strength changes of combustible municipal solid waste components during their early pyrolysis stage and mechanism analysis
enthalten in:
Waste management & research : the journal of the International Solid Wastes and Public Cleansing Association, ISWA
| 2024
von
Jia, Y.
|
Chen, D.
|
Xu, S.
| +4
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6
Investigation of dislocation and twinning behavior in HMX under high-velocity impact employing molecular dynamics simulations
enthalten in:
Journal of molecular modeling
| 2024
von
Yang, C.
|
Zhang, S.
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7
Investigation of dislocation and twinning behavior in HMX under high-velocity impact employing molecular dynamics simulations
enthalten in:
Journal of molecular modeling
| 2024
von
Yang, C.
|
Zhang, S.
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8
Mechanisms of CH4 activation over oxygen-preadsorbed transition metals by ReaxFF and AIMD simulations
enthalten in:
Journal of computational chemistry
| 2024
von
Wang, J.
|
Wang, G.
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9
Mechanism Exploration of the Effect of Polyamines on the Polishing Rate of Silicon Chemical Mechanical Polishing : A Study Combining Simulations and Experiments
enthalten in:
Nanomaterials (Basel, Switzerland)
| 2024
von
Lin, Z.
|
Zhu, J.
|
Huang, Q.
| +3
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10
Effect of collapse column structure on oxidation and physicochemical characteristics of bituminous coal
in:
Arabian Journal of Chemistry
| 2024
von
Dongjie Hu
|
Zongxiang Li
|
Yu Liu
| +3
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Journal of molecular modeling
22
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15
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9
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9
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The Korean journal of chemical engineering
6
Wu li hua xue xue bao
5
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4
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4
Journal of surface investigation
4
Journal of thermal analysis and calorimetry
4
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Friction
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ReaxFF
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molecular dynamics
27
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23
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理工B(化学化工冶金环境矿业)
22
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20
ReaxFF force field
18
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18
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17
ReaxFF MD
15
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ReaxFF-MD
14
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12
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理工C(机电航空交通水利建筑能源)
11
DFT
11
分子动力学
10
Cellulose
10
ReaxFF reactive force field
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Erscheinungszeitraum
161
2020-
108
2010-2019
6
2000-2009
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Sprache
253
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23
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