| Nome |
# |
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17O NMR: A "Rare and Sensitive" Probe of Molecular Interactions and Dynamics, file e0c31c08-5234-4599-e053-1705fe0aef77
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513
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Atomistic Simulation of Phase Transitions and Charge Mobility for the Organic Semiconductor Ph-BTBT-C10, file e0c31c0f-9e36-4599-e053-1705fe0aef77
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448
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Atomistic modeling of solid-state phase transitions in poly(3-alkylthiophenes): from form II to form I polymorphs., file e0c31c0f-4ac4-4599-e053-1705fe0aef77
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400
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Polymer Adhesion: Seeking New Solutions for an Old Problem, file e0c31c12-27b9-4599-e053-1705fe0aef77
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376
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Evidence of superdiffusive nanoscale motion in anionic polymeric hydrogels: Analysis of PGSE-NMR data and comparison with drug release properties, file e0c31c0d-615e-4599-e053-1705fe0aef77
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369
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Pyrazolium- versus imidazolium-based ionic liquids: Structure, dynamics and physicochemical properties, file e0c31c08-d89b-4599-e053-1705fe0aef77
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309
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Quo Vadis, Macromolecular Science? Reflections by the IUPAC Polymer Division on the Occasion of the Staudinger Centenary, file e0c31c0f-8159-4599-e053-1705fe0aef77
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233
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Tunable interaction potentials and morphology of polymer–nanoparticle blends, file e0c31c0f-837f-4599-e053-1705fe0aef77
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227
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Association and diffusion of Li+ in carboxymethylcellulose solutions with application to environmentally friendly Li-ion batteries: a combined Molecular Dynamics and NMR study, file e0c31c09-beeb-4599-e053-1705fe0aef77
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225
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All-Atom Model of Atactic 2-Vinyl Pyridine Polymer: Structural Properties Investigation by Molecular Dynamics Simulations, file e0c31c0d-54ba-4599-e053-1705fe0aef77
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222
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Influence of wall heterogeneity on nanoscopically confined polymers, file e0c31c0d-0087-4599-e053-1705fe0aef77
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208
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Viscoelasticity of Short Polymer Liquids from Atomistic Simulations, file e0c31c0d-33b8-4599-e053-1705fe0aef77
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204
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Towards realistic simulations of polymer networks: tuning vulcanisation and mechanical properties, file e0c31c10-8d73-4599-e053-1705fe0aef77
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202
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Origin of Charge Separation at Organic Photovoltaic Heterojunctions: A Mesoscale Quantum Mechanical View, file e0c31c0b-2638-4599-e053-1705fe0aef77
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190
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Molecular geometry and molecular graphics: Natta's polypropylene and beyond, file e0c31c0c-54e9-4599-e053-1705fe0aef77
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171
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Hydrophobic aggregation and collective absorption of dioxin into lipid membranes: insights from atomistic simulations, file e0c31c08-4dcc-4599-e053-1705fe0aef77
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161
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Effects of chemically heterogeneous nanoparticles on polymer dynamics: Insights from molecular dynamics simulations, file e0c31c10-a6d1-4599-e053-1705fe0aef77
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154
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Surface Reconstructions in Organic Crystals: Simulations of the Effect of Temperature and Defectivity on Bulk and (001) Surfaces of 2,2′:6′,2″-Ternaphthalene, file e0c31c09-ccce-4599-e053-1705fe0aef77
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149
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Molecular Dynamics Simulation on Physical Properties of Liquid Lead, Bismuth and Lead-bismuth Eutectic (LBE), file e0c31c09-d137-4599-e053-1705fe0aef77
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138
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Glassy dynamics of a polymer monolayer on a heterogeneous disordered substrate, file e0c31c08-ba0e-4599-e053-1705fe0aef77
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133
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Atomistic modelling of entropy driven phase transitions between different crystal modifications in polymers: the case of poly(3-alkylthiophenes), file e0c31c0c-ebe7-4599-e053-1705fe0aef77
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129
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From dioxin to dioxin congeners: understanding the differences in hydrophobic aggregation in water and absorption into lipid membranes by means of atomistic simulations, file e0c31c09-d135-4599-e053-1705fe0aef77
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120
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Pyrrolidinium-Based Ionic Liquids Doped with Lithium Salts: How
Does Li+ Coordination Affect Its Diffusivity?, file e0c31c0d-a442-4599-e053-1705fe0aef77
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96
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A Coarse-Grained Force Field for Silica–Polybutadiene Interfaces and Nanocomposites, file e0c31c0f-a9a8-4599-e053-1705fe0aef77
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91
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SEPARAZIONE DI CARICA IN MISCELE DI MATERIALI ORGANICI: VALE LA LEGGE DI COULOMB?, file e0c31c10-0a08-4599-e053-1705fe0aef77
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87
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Modeling of the Electrostatic Interaction and Catalytic Activity of [NiFe] Hydrogenases on a Planar Electrode, file d33ceac4-dc26-4b7b-a4e4-f60ed2f97610
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76
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The effect of donor content on the efficiency of P3HT:PCBM bilayers: optical and photocurrent spectral data analyses, file e0c31c0e-a7aa-4599-e053-1705fe0aef77
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73
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Fracture in Silica/Butadiene Rubber: A Molecular Dynamics View of Design–Property Relationships, file e0c31c11-ade2-4599-e053-1705fe0aef77
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73
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From Nanoscale to Microscale: Crossover in the Diffusion Dynamics Within Two Pyrrolidinium-Based Ionic Liquids, file e0c31c10-9dd0-4599-e053-1705fe0aef77
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53
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Polymer-Mediated Adhesion: Nanoscale Surface Morphology and Failure Mechanisms, file e0c31c10-1f86-4599-e053-1705fe0aef77
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50
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Electron transport in crystalline PCBM-like fullerene derivatives: a comparative computational study, file e0c31c0e-245d-4599-e053-1705fe0aef77
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35
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Magnetic Resonance Imaging and Molecular Dynamics Characterization of Ionic Liquid in Poly(ethylene oxide)-Based Polymer Electrolytes, file b65144fb-c5ac-467d-83be-7a5770c20787
|
33
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Modelling crystal polymorphs and related phase transitions in semiconducting polymers: poly(3-alkylthiophenes), file e0c31c0f-9520-4599-e053-1705fe0aef77
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33
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Modelling crystalline phase transitions in poly(3-alkylthiophenes), file e0c31c0f-469a-4599-e053-1705fe0aef77
|
28
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Impact of Interaction Strength and Surface Heterogeneity on the Dynamics of Adsorbed Polymers, file e0c31c0e-5431-4599-e053-1705fe0aef77
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27
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Modeling solid state transitions in poly(3-alkylthiophenes), file e0c31c0f-4f85-4599-e053-1705fe0aef77
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19
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Buffered accelerated weathering of limestone for storing CO2: Chemical background, file e0c31c12-16fd-4599-e053-1705fe0aef77
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18
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Polymer-Mediated Adhesion: Nanoscale Surface Morphology and Failure Mechanisms, file 76336992-f9bb-49fd-80aa-61b3a8aca363
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16
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|
Atomistic modelling of entropy driven phase transitions between different crystal modifications in polymers: the case of poly(3-alkylthiophenes), file e0c31c0c-ebe9-4599-e053-1705fe0aef77
|
14
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Atomistic modelling of entropy driven phase transitions between different crystal modifications in polymers: the case of poly(3-alkylthiophenes), file e0c31c0c-ebe8-4599-e053-1705fe0aef77
|
8
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Intramolecular CH/π interactions in alkylaromatics: Monomer conformations for poly(3-alkylthiophene) atomistic models, file e0c31c08-1039-4599-e053-1705fe0aef77
|
6
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Identification of viable TCDD access pathways to human AhR PAS-B ligand binding domain, file e0c31c10-cbb7-4599-e053-1705fe0aef77
|
6
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Techno-economic evaluation of buffered accelerated weathering of limestone as a CO2 capture and storage option, file c154daa8-b9ce-4968-85f3-eee4ce36d8d3
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4
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Structure and Supramolecular organization of substituted polythiophenes, file e0c31c07-fcb1-4599-e053-1705fe0aef77
|
4
|
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A Solid State Density Functional Study of Crystalline Thiophene-Based Oligomers and Polymers, file e0c31c08-036f-4599-e053-1705fe0aef77
|
3
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Impact of Interaction Strength and Surface Heterogeneity on the Dynamics of Adsorbed Polymers, file e0c31c08-1d7a-4599-e053-1705fe0aef77
|
2
|
|
Electron transport in crystalline PCBM-like fullerene derivatives: a comparative computational study, file e0c31c08-1dd8-4599-e053-1705fe0aef77
|
2
|
|
Pyrrolidinium-Based Ionic Liquids Doped with Lithium Salts: How
Does Li+ Coordination Affect Its Diffusivity?, file e0c31c08-26b5-4599-e053-1705fe0aef77
|
2
|
|
Ordered Stacking of Regioregular Head-to-Tail Polyalkylthiophenes: Insights from the Crystal Structure of Form I' Poly(3-n-butylthiophene), file e0c31c08-39c0-4599-e053-1705fe0aef77
|
2
|
|
Computational reinvestigation of the bithiophene torsion potential, file e0c31c08-3b1e-4599-e053-1705fe0aef77
|
2
|
|
POLYMORPHISM OF A CONDUCTIVE POLYMER: POLY(3-BUTYLTHIOPHENE), file e0c31c08-4845-4599-e053-1705fe0aef77
|
2
|
|
The effect of donor content on the efficiency of P3HT:PCBM bilayers: optical and photocurrent spectral data analyses, file e0c31c08-b77f-4599-e053-1705fe0aef77
|
2
|
|
From Nanoscale to Microscale: Crossover in the Diffusion Dynamics Within Two Pyrrolidinium-Based Ionic Liquids, file e0c31c0b-3bb8-4599-e053-1705fe0aef77
|
2
|
|
Molecular dynamics simulation of metallic impurity diffusion in liquid lead-bismuth eutectic (LBE), file e0c31c0b-7349-4599-e053-1705fe0aef77
|
2
|
|
Molecular dynamics simulation of adhesion at the asphalt-aggregate interface: A review, file bcd1d9e9-7454-4059-a06d-8aafff3da98b
|
1
|
|
Form II poly(3-butylthiophene): crystal structure and preferred orientation in spherulitic thin films, file e0c31c07-dff8-4599-e053-1705fe0aef77
|
1
|
|
Materials for organic photovoltaics: insights from detailed
structural models and molecular simulations, file e0c31c07-fb6a-4599-e053-1705fe0aef77
|
1
|
|
Combined diffraction and modelling approaches: a key for an atomistic understanding of the structure and properties of polythiophenes?, file e0c31c07-fcae-4599-e053-1705fe0aef77
|
1
|
|
Unexpected Inversion in Preferential Stability of Gauche Over Anti Conformers of Alkylaromatics’Side Chains, file e0c31c07-fedb-4599-e053-1705fe0aef77
|
1
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The Collapse of Macromolecules in Poor Solvents, file e0c31c08-3545-4599-e053-1705fe0aef77
|
1
|
| Totale |
6.158 |