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Paul von Ragué Schleyer

Islamic Azad University Rasht Branch

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Impact (2-yr)

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Top Publications

Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F

Journal of Computational Chemistry19837,049 citations

Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe

Journal of the American Chemical Society19966,088 citationsFirst authorCorresponding

Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion

Chemical Reviews20053,736 citations

Which NICS Aromaticity Index for Planar π Rings Is Best?

Organic Letters20061,215 citations

Dissected Nucleus-Independent Chemical Shift Analysis of π-Aromaticity and Antiaromaticity

Organic Letters2001948 citationsFirst authorCorresponding

To What Extent Can Aromaticity Be Defined Uniquely?

The Journal of Organic Chemistry2002727 citations

Systematic Errors in Computed Alkane Energies Using B3LYP and Other Popular DFT Functionals

Organic Letters2006418 citations

Recommendations for the Evaluation of Aromatic Stabilization Energies

Organic Letters2002405 citationsFirst authorCorresponding

A new, general strategy for achieving planar tetracoordinate geometries for carbon and other second row periodic elements

Journal of the Chemical Society Chemical Communications1991241 citationsFirst authorCorresponding

Paul von Ragué Schleyer · Scinovex