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List of works by Jakub Kaminsky

3He NMR: from free gas to its encapsulation in fullerene ⬇️

scientific article published on June 5, 2013

Accurate Conformational Energy Differences of Carbohydrates: A Complete Basis Set Extrapolation

scientific article published on 11 March 2011

Basis set convergence of indirect spin-spin coupling constants in the Kohn-Sham limit for several small molecules

scientific article published on 29 March 2012

Calculation of Raman parameters of real-size zigzag (n, 0) single-walled carbon nanotubes using finite-size models

scientific article published in September 2016

Convergence of Nuclear Magnetic Shieldings in the Kohn-Sham Limit for Several Small Molecules

scientific article published on 31 March 2010

DFT studies on armchair (5, 5) SWCNT functionalization. Modification of selected structural and spectroscopic parameters upon two-atom molecule attachment

scientific article published on 14 November 2014

DFT study of zigzag (n, 0) single-walled carbon nanotubes: (13)C NMR chemical shifts

scientific article published on 3 May 2016

Efficient Modeling of NMR Parameters in Carbon Nanosystems.

scientific article published on 5 August 2013

Estimation of isotropic nuclear magnetic shieldings in the CCSD(T) and MP2 complete basis set limit using affordable correlation calculations.

scientific article

Force Field Modeling of Amino Acid Conformational Energies

scientific article published on 01 September 2007

From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) complete basis set limit isotropic nuclear magnetic shieldings via affordable DFT/CBS calculations

scientific article published on 09 March 2011

Fullerene C70 characterization by 13C NMR and the importance of the solvent and dynamics in spectral simulations.

scientific article published on 8 May 2013

Limitations in the description of conformational preferences of C-disaccharides: The (1 → 3)-C-mannobiose case

scientific article

Modeling 21Ne NMR parameters for carbon nanosystems

scientific article published on 23 August 2013

Molecular dynamics with restrictions derived from optical spectra.

scientific article published in April 2009

On the magnetic circular dichroism of benzene. A density-functional study.

scientific article published in April 2017

Properties of the Only Thorium Fullerene, Th@C84, Uncovered.

scientific article published on 04 April 2017

Ramachandran Plot for Alanine Dipeptide as Determined from Raman Optical Activity.

scientific article

Recognition of Oligosaccharides by Chirality Induced in Europium (III) Compounds

scientific article published on 09 November 2018

Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging.

scientific article

Simulation of Raman and Raman optical activity of saccharides in solution

scientific article published on 13 January 2020

Simulations of the temperature dependence of amide I vibration

scientific article published on 09 December 2010

Structure and vibrational motion of insulin from Raman optical activity spectra.

scientific article

The accuracy of local MP2 methods for conformational energies

Theoretical Study of Vibrationally Averaged Dipole Moments for the Ground and Excited C═O Stretching States of trans-Formic Acid

scientific article published on March 2010

Theoretical modeling of magnesium ion imprints in the Raman scattering of water.

scientific article

Theoretical modeling of peptide α-helical circular dichroism in aqueous solution

scientific article published on 15 February 2011

Use of Raman and Raman optical activity to extract atomistic details of saccharides in aqueous solution

scientific article published on 20 January 2022

Vibrational Structure in Magnetic Circular Dichroism Spectra of Polycyclic Aromatic Hydrocarbons.

scientific article published on 7 November 2017

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