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Víctor Polo | doi.page

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Víctor Polo

Universidad de Zaragoza(ES)Instituto de Biocomputación y Física de Sistemas Complejos

Publications by Year

Research Areas

X-ray Diffraction in Crystallography, Crystallization and Solubility Studies, Asymmetric Hydrogenation and Catalysis, Catalytic Cross-Coupling Reactions, Catalytic C–H Functionalization Methods

Most-Cited Works

→ About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error(2005)333 cited
→ Electron correlation and the self-interaction error of density functional theory(2002)227 cited
→ Understanding Reaction Mechanisms in Organic Chemistry from Catastrophe Theory Applied to the Electron Localization Function Topology(2008)205 cited
→ Ligand-Controlled Regioselectivity in the Hydrothiolation of Alkynes by Rhodium N-Heterocyclic Carbene Catalysts(2012)183 cited
→ Effective Fixation of CO₂ by Iridium‐Catalyzed Hydrosilylation(2012)136 cited
→ Some thoughts about the stability and reliability of commonly used exchange?correlation functionals ? coverage of dynamic and nondynamic correlation effects(2002)117 cited

→ Implicit and Explicit Coverage of Multi-reference Effects by Density Functional Theory(2002)

116 cited

→ Understanding the Molecular Mechanism of the 1,3‐Dipolar Cycloaddition between Fulminic Acid and Acetylene in Terms of the Electron Localization Function and Catastrophe Theory(2004)104 cited

→ Describing the Molecular Mechanism of Organic Reactions by Using Topological Analysis of Electronic Localization Function(2011)96 cited

→ Long-range and short-range Coulomb correlation effects as simulated by Hartree-Fock, local density approximation, and generalized gradient approximation exchange functionals(2003)87 cited