Juan Carlos Roldao
0000-0003-0642-0914
University of Valencia
20 papers found
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Formation and degradation of strongly reducing cyanoarene-based radical anions towards efficient radical anion-mediated photoredox catalysis
Highly Efficient Photocatalytic Hydrogen Evolution Using a Self‐Assembled Octupolar Molecular System
Boosting the Stimulated Emission Properties of Host:Guest Polymer Blends by Inserting Chain Twists in the Host Polymer
Accurate Calculation of Excited-State Absorption for Small-to-Medium-Sized Conjugated Oligomers: Multiconfigurational Treatment vs Quadratic Response TD-DFT
Pure Boric Acid Does Not Show Room‐Temperature Phosphorescence (RTP)
Quantum-chemistry study of the ground and excited state absorption of distyrylbenzene: Multi vs single reference methods
Theoretical and Experimental Evidence of Two‐Step Tautomerization in Hypericin
A deep investigation into the thermal degradation of urethane dimethacrylate polymer
Direct Observation of Structural Heterogeneity and Tautomerization of Single Hypericin Molecules
Unraveling the Origin of High Efficiency Photoluminescence in Mixed-Stack Isostructural Crystals of Organic Charge-Transfer Complex: Fine-Tuning of Isometric Donor-Acceptor Pairs
Combined Spectroscopic and TD‐DFT Analysis to Elucidate Substituent and Acidochromic Effects in Organic Dyes: A Case Study on Amino‐ versus Nitro‐Substituted 2,4‐Diphenylquinolines
Solvent‐Free Synthesis Using Nb2O5 and a Theoretical‐Experimental Study of Solvent Effect in New Rhodamine Dyes
Counterion-Mediated Crossing of the Cyanine Limit in Crystals and Fluid Solution: Bond Length Alternation and Spectral Broadening Unveiled by Quantum Chemistry
Synthesis of solvent-free acrylic pressure-sensitive adhesivesviavisible-light-driven photocatalytic radical polymerization without additives
Crossed 2D versus Slipped 1D π‐Stacking in Polymorphs of Crystalline Organic Thin Films: Impact on the Electronic and Optical Response
Effects of Mechanical Stretching on the Properties of Conjugated Polymers: Case Study for MEH-PPV and P3HT Oligomers
The role of sulfate in the chemical synthesis of graphene oxide
Theoretical evaluation of chemical substitutions along the main chain of poly(3‐hexylthienylene‐vinylene) for solar cell applications
Electronic structure of polythieno[3,4-b]-thiophene-co-benzodithiophene (PTB7) derivatives for organic solar cell applications
Calculation of low bandgap homopolymers: Comparison of TD-DFT methods with experimental oligomer series
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