J.J. Quirante

Publications by Year

Research Areas

Advanced Chemical Physics Studies, Organic Chemistry Cycloaddition Reactions, Catalysis for Biomass Conversion, Molecular Spectroscopy and Structure, Free Radicals and Antioxidants

Most-Cited Works

• → Raman Spectroscopy Shows Interchain through Space Charge Delocalization in a Mixed Valence Oligothiophene Cation and in Its π-Dimeric Biradicaloid Dication(2008)40 cited
• → Molecular conformations and harmonic force field of 1,3,5-benzenetriol molecule from ab initio and density functional theory investigations(1997)32 cited
• → Rationalizing the Catalytic Activity of Copper in the Cycloaddition of Azide and Alkynes (CuAAC) with the Topology of∇2ρ(r) and∇∇2ρ(r)(2014)29 cited
• → Hybrid Organic Semiconductors Including Chalcogen Atoms in π-Conjugated Skeletons. Tuning of Optical, Redox, and Vibrational Properties by Heavy Atom Conjugation(2006)27 cited
• → Ni supported on sepiolite catalysts for the hydrogenation of furfural to value-added chemicals: influence of the synthesis method on the catalytic performance(2019)26 cited
• → Influence of the Incorporation of Basic or Amphoteric Oxides on the Performance of Cu-Based Catalysts Supported on Sepiolite in Furfural Hydrogenation(2019)25 cited
• → Pericyclic versus Pseudopericyclic Reactions. What the Laplacian of the Charge Density, ∇2ρ(r), Has To Say about It? The Case of Cycloaddition Reactions(2008)23 cited
• → The vinylcyclopropane rearrangement: An AM1 study(1990)14 cited
• → On the regioselectivity of the mononuclear copper-catalyzed cycloaddition of azide and alkynes (CuAAC). A quantum chemical topological study(2014)13 cited
• → Structure, polarized micro-Raman and FT-IR spectra, and ab initio calculations of 1,2-dicyanobenzene(1993)13 cited