Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Informe
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Voronoi Based Nanocrystalline Generation Algorithm for Atomistic SimulationsFoley, Daniel ; Coleman,Shawn P ; Tucker,Garritt ; Tschopp,Mark A2016Texto completo disponible |
2 |
Material Type: Informe
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Molecular Simulations of Shear-Induced Dynamics in NitromethaneSteele,Brad A ; Larentzos,James P2016Texto completo disponible |
3 |
Material Type: Informe
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A coarse-grained parametrisation of linear alkanesRoscioni, Otello Maria ; Ricci, Matteo ; Farr, StephenZenodo 2023Texto completo disponible |
4 |
Material Type: Informe
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A Novel Multiscale QM-MD-SPH Computational Method for Heterogeneous Multicomponent Reactive SystemsLiu,Guirong ; Wang,Guangyu ; De,Suvranu ; Peng,Qing2017Texto completo disponible |
5 |
Material Type: Informe
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Damage Precursor Detection in Polymer Matrix Composites Using Novel Smart Composite ParticlesChattopadhyay,Aditi2016Texto completo disponible |
6 |
Material Type: Informe
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Theoretical Prediction of the Heats of Formation, Densities, and Relative Sensitivities for 1,7-dinitro-3,4,5,8-tetra N-oxide-bis([1,2,3]triazolo)[4,5-b:5',4' e]pyrazine, 1,7-dinitro-3,5,8-tri N-oxide bis([1,2,3]triazolo)[4,5-b:5',4' e]pyrazine, 1,7-dinitro 3,5-bis N-oxide bis([1,2,3]triazolo)[4,5-b:5',4' e]pyrazine, 1,7-dinitro 1,7-dihydrobis([1,2,3]triazolo)[4,5-b:4',5'-e]pyrazineByrd,Edward F2016Texto completo disponible |
7 |
Material Type: Informe
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Using NMR Spectroscopy to Investigate the Solution Behavior of Nerve Agents and Their Binding to AcetylcholinesteraseHenderson,Terry J2016Texto completo disponible |
8 |
Material Type: Informe
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Phytochemical constituents, in-vitro anticancer activity and computational studies of Cymbopogon schoenanthusHago, Salma ; Lu, Tang ; Alzain, Abdulrahim A. ; Abdelgadir, Abdelgadir A. ; Yassin, Sitelbanat ; Ahmed, Elhadi M. ; Xu, HanmeiNatural Product Research, 2024, Vol.38 (6), p.1073-1079Taylor & FrancisTexto completo disponible |
9 |
Material Type: Informe
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Exploration of limonoids for their broad spectrum antiviral potential via DFT, molecular docking and molecular dynamics simulation approachRochlani, Sneha ; Bhatia, Manish ; Rathod, Sanket ; Choudhari, Prafulla ; Dhavale, RakeshNatural Product Research, 2024, Vol.38 (5), p.891-896Taylor & FrancisTexto completo disponible |
10 |
Material Type: Informe
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Acipimox inhibits human carbonic anhydrasesMori, Mattia ; Supuran, Claudiu T.Journal of Enzyme Inhibition and Medicinal Chemistry, 2022, Vol.37 (1), p.672-679Taylor & FrancisTexto completo disponible |