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Structural heterogeneity in tetra-armed gels revealed by computer simulation: Evidence from a graph theory assisted characterization.

• Authors : Li, Yingxiang; Zhao, Wenbo; Cheng, Zhiyuan

Subjects: POLYMER networks; GRAPH theory; COMPUTER simulation

• Source: Journal of Chemical Physics; 4/14/2024, Vol. 160 Issue 14, p1-13, 13p

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Anomalous segmental dynamics of supercooled polyrotaxane melts: A computer simulation study.

• Authors : Jia, Xiang-Meng; Zhou, Jiajia

Subjects: COMPUTER simulation; GLASS transition temperature; MOLECULAR dynamics

• Source: Journal of Chemical Physics; 12/28/2023, Vol. 159 Issue 24, p1-8, 8p

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Determining glass transition in all-atom acrylic polymeric melt simulations using machine learning.

• Authors : Banerjee, Atreyee; Iscen, Aysenur; Kremer, Kurt

Subjects: GLASS transitions; GLASS transition temperature; ACRYLIC coatings

• Source: Journal of Chemical Physics; 8/21/2023, Vol. 159 Issue 7, p1-11, 11p

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Can molecular dynamics be used to simulate biomolecular recognition?

• Authors : Lüking, Malin; van der Spoel, David; Elf, Johan

Subjects: MOLECULAR dynamics; MOLECULAR recognition; DEGREES of freedom

• Source: Journal of Chemical Physics; 5/14/2023, Vol. 158 Issue 18, p1-15, 15p

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Applied Science & Technology Full Text (H.W. Wilson)

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Chalcones with N‐Methylpiperazine Moiety: Synthesis, Monoamine Oxidase Inhibition, Neuroprotective Effect and Computer Simulation Study.

• Authors : Jayan, Jayalakshmi; Trisciuzzi, Daniela; Benny, Feba

Subjects: MONOAMINE oxidase; CHALCONES; CHALCONEMAO, Zedong, 1893-1976

• Source: ChemistrySelect; 4/12/2024, Vol. 9 Issue 14, p1-14, 14p

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Review on Design, Characterization, and Prediction of Performance for Asphalt Materials and Asphalt Pavement Using Multi-Scale Numerical Simulation.

• Authors : Wang, Wentao; Wang, Linbing

Subjects: ASPHALT; ASPHALT pavements; COMPUTER simulation

• Source: Materials (1996-1944); Feb2024, Vol. 17 Issue 4, p778, 24p

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Kinetic network models to elucidate aggregation dynamics of aggregation‐induced emission systems.

• Authors : Liu, Zige; Kalin, Michael L.; Liu, Bojun

Subjects: MOLECULAR dynamics; MATERIALS science; METASTABLE states

• Source: Aggregate; Feb2024, Vol. 5 Issue 1, p1-8, 8p

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Agricola

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Agricola

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