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Salvador Leon
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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, ...
2392005
Information storage using supramolecular surface patterns
M Cavallini, F Biscarini, S León, F Zerbetto, G Bottari, DA Leigh
Science 299 (5606), 531-531, 2003
2222003
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
1542006
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
1352003
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
1162005
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
912019
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
832001
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
772002
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
702004
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
502019
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
452002
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
452000
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
402010
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
372018
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
342000
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
312021
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
302017
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
301998
Structure of the extended crystal forms of nylon-6
S León, C Alemán, S Muñoz-Guerra
Macromolecules 33 (16), 5754-5756, 2000
272000
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
271999
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