Patterning through controlled submolecular motion: Rotaxane-based switches and logic gates that function in solution and polymer films CG Saiz, AMZ Slawin, AJ Carmichael, DM Haddleton, AM Brouwer, ... | 241 | 2005 |
Information storage using supramolecular surface patterns M Cavallini, F Biscarini, S León, F Zerbetto, G Bottari, DA Leigh Science 299 (5606), 531-531, 2003 | 222 | 2003 |
Long time atomistic polymer trajectories from coarse grained simulations: bisphenol-A polycarbonate B Hess, S León, N Van Der Vegt, K Kremer Soft Matter 2 (5), 409-414, 2006 | 154 | 2006 |
Photoisomerization of a rotaxane hydrogen bonding template: Light-induced acceleration of a large amplitude rotational motion FG Gatti, S León, JKY Wong, G Bottari, A Altieri, MAF Morales, SJ Teat, ... Proceedings of the National Academy of Sciences 100 (1), 10-14, 2003 | 135 | 2003 |
Bisphenol A polycarbonate: Entanglement analysis from coarse-grained MD simulations S Leon, N van der Vegt, L Delle Site, K Kremer Macromolecules 38 (19), 8078-8092, 2005 | 116 | 2005 |
A top-down strategy identifying molecular phase stabilizers to overcome microstructure instabilities in organic solar cells C Zhang, T Heumueller, S Leon, W Gruber, K Burlafinger, X Tang, ... Energy & Environmental Science 12 (3), 1078-1087, 2019 | 92 | 2019 |
Calculated and Experimental NMR Chemical Shifts of p-Menthane-3,9-diols. A Combination of Molecular Dynamics and Quantum Mechanics to Determine the … J Casanovas, AM Namba, S León, GLB Aquino, GVJ da Silva, C Alemán The Journal of Organic Chemistry 66 (11), 3775-3782, 2001 | 83 | 2001 |
The effect of mechanical interlocking on crystal packing: predictions and testing F Biscarini, M Cavallini, DA Leigh, S León, SJ Teat, JKY Wong, F Zerbetto Journal of the American Chemical Society 124 (2), 225-233, 2002 | 77 | 2002 |
BPA-PC on a Ni (111) surface: The interplay between adsorption energy and conformational entropy for different chain-end modifications L Delle Site, S Leon, K Kremer Journal of the American Chemical Society 126 (9), 2944-2955, 2004 | 70 | 2004 |
Interface molecular engineering for laminated monolithic perovskite/silicon tandem solar cells with 80.4% fill factor CO Ramírez Quiroz, GD Spyropoulos, M Salvador, LM Roch, M Berlinghof, ... Advanced Functional Materials 29 (40), 1901476, 2019 | 52 | 2019 |
The Effect of Guest Inclusion on the Crystal Packing of p‐tert‐Butylcalix[4]arenes S León, DA Leigh, F Zerbetto Chemistry–A European Journal 8 (21), 4854-4866, 2002 | 45 | 2002 |
Comparison of lamellar crystal structure and morphology of nylon 46 and nylon 5 M Bermúdez, S León, C Alemán, S Muñoz-Guerra Polymer 41 (25), 8961-8973, 2000 | 45 | 2000 |
Crystal Structure and Morphology of Linear Aliphatic n-Polyurethanes CE Fernández, M Bermúdez, S Muñoz-Guerra, S León, RM Versteegen, ... Macromolecules 43 (9), 4161-4171, 2010 | 40 | 2010 |
Isomannide-containing poly (butylene 2, 5-furandicarboxylate) copolyesters via ring opening polymerization JC Morales-Huerta, A Martínez de Ilarduya, S León, S Muñoz-Guerra Macromolecules 51 (9), 3340-3350, 2018 | 38 | 2018 |
Structure and morphology of nylon 46 lamellar crystals: Electron microscopy and energy calculations M Bermúdez, S León, C Alemán, S Muñoz‐Guerra Journal of Polymer Science Part B: Polymer Physics 38 (1), 41-52, 2000 | 35 | 2000 |
Analyzing dynamical disorder for charge transport in organic semiconductors via machine learning P Reiser, M Konrad, A Fediai, S Léon, W Wenzel, P Friederich Journal of chemical theory and computation 17 (6), 3750-3759, 2021 | 32 | 2021 |
Sugar-based bicyclic monomers for aliphatic polyesters: a comparative appraisal of acetalized alditols and isosorbide E Zakharova, A Martinez de Ilarduya, S León, S Muñoz-Guerra Designed monomers and polymers 20 (1), 157-166, 2017 | 30 | 2017 |
Helical Nylons 3. Synthesis and Crystal Structure of Poly(β-l-aspartate)s with Branched Alkyl Side Chains M García-Alvarez, S León, C Alemán, JL Campos, S Muñoz-Guerra Macromolecules 31 (1), 124-134, 1998 | 30 | 1998 |
Structure of the extended crystal forms of nylon-6 S León, C Alemán, S Muñoz-Guerra Macromolecules 33 (16), 5754-5756, 2000 | 27 | 2000 |
PCSP: a computer program to predict and analyze the packing in crystalline polymers S León, JJ Navas, C Alemán Polymer 40 (26), 7351-7358, 1999 | 27 | 1999 |