Concepedia

Patricio F. Provasi

PF

32

Publications

2.8K

Citations

20

H-Index

2000

Active since

Affiliations

National University of the Northeast(Current)

University of Copenhagen

Universidad de Buenos Aires

Consejo Nacional de Investigaciones Científicas y Técnicas

Instituto de Química Médica

Patricio F. Provasi is an author at National University of the Northeast specializing in chemistry, natural sciences, and quantum chemistry.

ORCID

Top concepts

Publications per year

2000–2023

32

Publications

32

The <scp>D</scp>alton quantum chemistry program system

Kęstutis Aidas, Celestino Angeli, Keld L. Bak et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2013 · 1.5K citations · Full text

The effect of lone pairs and electronegativity on the indirect nuclear spin–spin coupling constants in CH2X (X=CH2, NH, O, S): <i>Ab initio</i> calculations using optimized contracted basis sets

Patricio F. Provasi, Gustavo A. Aucar, Stephan P. A. Sauer · The Journal of Chemical Physics · 2001 · 268 citations · Full text

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Substituent Effects on Scalar<sup>2</sup>J(<sup>19</sup>F,<sup>19</sup>F) and<sup>3</sup>J(<sup>19</sup>F,<sup>19</sup>F) NMR Couplings:  A Comparison of SOPPA and DFT Methods

Verónica Barone, Patricio F. Provasi, Juan E. Peralta et al. · The Journal of Physical Chemistry A · 2003 · 110 citations

, , +17

The use of locally dense basis sets in the calculation of indirect nuclear spin–spin coupling constants: The vicinal coupling constants in H3C–CH2X (X=H, F, Cl, Br, I)

Patricio F. Provasi, Gustavo A. Aucar, Stephan P. A. Sauer · The Journal of Chemical Physics · 2000 · 99 citations · Full text

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Optimized basis sets for the calculation of indirect nuclear spin-spin coupling constants involving the atoms B, Al, Si, P, and Cl

Patricio F. Provasi, Stephan P. A. Sauer · The Journal of Chemical Physics · 2010 · 97 citations · Full text

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