List of works - Yuriy Rusakov

Benchmark calculations of 29Si-1H spin-spin coupling constants across double bond

scientific article published on 13 March 2012

Calculation of 125Te NMR Chemical Shifts at the Full Four-Component Relativistic Level with Taking into Account Solvent and Vibrational Corrections: A Gateway to Better Agreement with Experiment

scientific article published on 14 June 2017

Conformational analysis and diastereotopic assignments in the series of selenium-containing heterocycles by means of 77Se-1H spin-spin coupling constants: a combined theoretical and experimental study

article

Conformational analysis and stereochemical dependences of (31)P-(1)H spin-spin coupling constants of bis(2-phenethyl)vinylphosphine and related phosphine chalcogenides.

scientific article published in April 2009

Conformational study of 2-arylazo-1-vinylpyrroles

scientific article published on 01 February 2007

Correlated ab initio calculations of one-bond 31 P-77 Se and 31 P-125 Te spin-spin coupling constants in a series of P=Se and P=Te systems accounting for relativistic effects (Part 2)

scientific article published on 26 May 2020

Divinyl selenide: conformational study and stereochemical behavior of its 77Se-1H spin-spin coupling constants.

scientific article published in October 2008

Experimental and computational studies of nJ(77Se,1H) selenium-proton couplings in selenoglycosides

scientific article published on 09 March 2011

Full four-component relativistic calculations of the one-bond77Se-13C spin-spin coupling constants in the series of selenium heterocycles and their parent open-chain selenides

scientific article published on 18 February 2014

Indirect relativistic bridge and substituent effects from the ‘heavy’ environment on the one-bond and two-bond13C1H spin-spin coupling constants

scientific article published on 09 September 2015

MP2 calculation of (77) Se NMR chemical shifts taking into account relativistic corrections.

scientific article published on 21 May 2015

New pecS-<i>n</i> (<i>n</i> = 1, 2) basis sets for quantum chemical calculations of the NMR chemical shifts of H, C, N, and O nuclei

scientific article published in 2022

Nonempirical calculations of NMR indirect spin–spin coupling constants. Part 15: pyrrolylpyridines

scientific article published on 01 July 2006

Nonempirical calculations of the one-bond (29)Si-(13)C spin-spin coupling constants taking into account relativistic and solvent corrections.

scientific article published on 6 May 2014

On the heavy atom on light atom relativistic effect in the NMR shielding constants of phosphine tellurides

scientific article published on 03 June 2019

On the long-range relativistic effects in the 15 N NMR chemical shifts of halogenated azines

scientific article published on 30 May 2017

Open-chain unsaturated selanyl sulfides: stereochemical structure and stereochemical behavior of their77Se-1H spin-spin coupling constants

scientific article published on 31 August 2012

Quantum chemical calculations of 77 Se and 125 Te NMR spectral parameters and their structural applications

scientific article published on 23 October 2020

Relativistic effects in the one-bond spin-spin coupling constants involving selenium

scientific article

Relativistic heavy atom effect on 13 C NMR chemical shifts initiated by adjacent multiple chalcogens.

scientific article published on 7 February 2018

Relativistic heavy atom effect on the 31 P NMR parameters of phosphine chalcogenides. Part 1. Chemical shifts

scientific article published on 04 June 2018

Resonance assignments of diastereotopic CH2 protons in the anomeric side chain of selenoglycosides by means of 2J(Se,H) spin-spin coupling constants

scientific article published on 16 May 2012

Stereochemical study of the sterically crowded phenylselanylalkenes by means of 77Se1H spin-spin coupling constants

scientific article published on 05 August 2011

Structural trends of77Se1H spin-spin coupling constants and conformational behavior of 2-substituted selenophenes

scientific article published on 01 January 2010

Trivinylphosphine and trivinylphosphine chalcogenides: stereochemical trends of ³¹P-¹H spin-spin coupling constants.

scientific article published on December 2010

List of works by Yuriy Rusakov