All Stories

  1. The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules

    Article • ChemPhysChem, April 2023, Wiley

    Patricio F. Provasi

  2. Theoretical Investigation of Glycine Micro-Solvated. Energy and NMR Spin Spin Coupling Constants Calculations

    Article • Sci, November 2021, MDPI AG

    Patricio F. Provasi

  3. High‐Level Electron Correlation of the Indirect Nuclear Spin‐Spin Coupling Constants in Some Small Diboranes and Lithium‐Doped Diboranes

    Article • ChemistrySelect, June 2021, Wiley

    Patricio F. Provasi

  4. Coeficiente de dilatación: diseño y construcción de un dilatómetro

    Article • Extensionismo Innovación y Transferencia Tecnológica, May 2021, Universidad Nacional del Nordeste

    Patricio F. Provasi

  5. Flujo viscoso: diseño y construcción de un dispositivo para determinar el coeficiente de viscosidad dinámica del agua

    Article • Extensionismo Innovación y Transferencia Tecnológica, May 2021, Universidad Nacional del Nordeste

    Patricio F. Provasi

  6. Theoretical analysis of the influence of C–H$$\cdots $$O bonds on the NMR constants of uracil in DMSO

    Article • Theoretical Chemistry Accounts, September 2020, Springer Science + Business Media

    Patricio F. Provasi

  7. Cinemática en el laboratorio de física: encuentro entre dos móviles con movimiento rectilíneo uniforme

    Article • Extensionismo Innovación y Transferencia Tecnológica, June 2020, Universidad Nacional del Nordeste

    Patricio F. Provasi

  8. Diseño y construcción de un microscopio elemental usando materiales de descarte y lentes para realidad virtual de Google Cardboard®

    Article • Extensionismo Innovación y Transferencia Tecnológica, June 2020, Universidad Nacional del Nordeste

    Patricio F. Provasi

  9. Sonido: sonómetro analógico y composición de movimientos armónicos para la demostración en el aula

    Article • Extensionismo Innovación y Transferencia Tecnológica, June 2019, Universidad Nacional del Nordeste

    Patricio F. Provasi

  10. Analysis of the interactions in FCCF:(H2O) and FCCF:(H2O)2 complexes through the study of their indirect spin–spin coupling constants

    Article • Molecular Physics, June 2018, Taylor & Francis

    Dr Stephan P. A. Sauer, Patricio F. Provasi

  11. NMR spin-spin coupling constants in hydrogen-bonded glycine clusters

    Article • International Journal of Quantum Chemistry, February 2018, Wiley

    Patricio F. Provasi

  12. Mini bobina de Tesla para el proceso de enseñanza - aprendizaje y/o la demostración en el aula

    Article • Extensionismo Innovación y Transferencia Tecnológica, May 2016, Universidad Nacional del Nordeste

    Patricio F. Provasi

  13. Analysis of the interactions between difluoroacetylene and one or two hydrogen fluoride molecules based on calculated spin–spin coupling constants

    Article • Computational and Theoretical Chemistry, October 2012, Elsevier

    Dr Stephan P. A. Sauer, Patricio F. Provasi

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

    Article • The Journal of Chemical Physics, August 2010, American Institute of Physics

    Dr Stephan P. A. Sauer, Patricio F. Provasi

  15. Stereochemical dependence of NMRgeminalspin-spin coupling constants

    Article • Magnetic Resonance in Chemistry, February 2009, Wiley

    Patricio F. Provasi

  16. Analysis of isotope effects in NMR one-bond indirect nuclear spin–spin coupling constants in terms of localized molecular orbitals

    Article • Physical Chemistry Chemical Physics, January 2009, Royal Society of Chemistry

    Dr Stephan P. A. Sauer, Patricio F. Provasi

  17. Resolving an apparent discrepancy between theory and experiment: spin-spin coupling constants for FCCF

    Article • Magnetic Resonance in Chemistry, November 2008, Wiley

    Patricio F. Provasi

  18. The Anomalous Deuterium Isotope Effect in the NMR Spectrum of Methane: An Analysis in Localized Molecular Orbitals

    Article • ChemPhysChem, June 2008, Wiley

    Dr Stephan P. A. Sauer, Patricio F. Provasi

  19. Theoretical Study of HCN and HNC Neutral and Charged Clusters

    Article • The Journal of Physical Chemistry B, August 2005, American Chemical Society (ACS)

    Patricio F. Provasi

  20. On the Usage of Locally Dense Basis Sets in the Calculation of NMR Indirect Nuclear Spin–Spin Coupling Constants: Vicinal Fluorine–Fluorine Couplings

    Article • January 2005, Elsevier

    Dr Stephan P. A. Sauer, Patricio F. Provasi

  21. Hyperconjugation:  The Electronic Mechanism That May Underlie the Karplus Curve of Vicinal NMR Indirect Spin Couplings

    Article • The Journal of Physical Chemistry A, June 2004, American Chemical Society (ACS)

    Patricio F. Provasi

  22. The Effect of Substituents on Indirect Nuclear Spin-Spin Coupling Constants: Methan- and Ethanimine, Methanal- and Ethanaloxime

    Article • International Journal of Molecular Sciences, April 2003, MDPI AG

    Dr Stephan P. A. Sauer, Patricio F. Provasi