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

Magnetic resonance in chemistry, 2018-11, Vol.56 (11), p.1061-1073

2018

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Stereoselective synthesis of E-2-halovinyl tellanes, ditellanes and selenides based on tellurium tetrahalides, selenium dihalides and internal alkynes

Journal of organometallic chemistry, 2018-07, Vol.867, p.300-305

2018

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Calculation of 15N and 31P NMR Chemical Shifts of Azoles, Phospholes, and Phosphazoles: A Gateway to Higher Accuracy at Less Computational Cost

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-08, Vol.122 (33), p.6746-6759

2018

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Stereochemical behavior of 2J(Se,H) and 3J(Se,H) spin‐spin coupling constants across sp3 carbons: a theoretical scrutiny

Magnetic resonance in chemistry, 2012-08, Vol.50 (8), p.557-562

2012

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Stereochemical behavior of 77Se-1H spin-spin coupling constants in pyrazolyl-1,3-diselenanes and 1,2-diselenolane

Magnetic resonance in chemistry, 2012-02, Vol.50 (2), p.169-173

2012

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Four-component relativistic DFT calculations of (77) Se NMR chemical shifts: A gateway to a reliable computational scheme for the medium-sized organoselenium molecules

Journal of computational chemistry, 2015-09, Vol.36 (23), p.1756-1762

2015

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Four-component relativistic DFT calculations of 77Se NMR chemical shifts: A gateway to a reliable computational scheme for the medium-sized organoselenium molecules

Journal of computational chemistry, 2015-09, Vol.36 (23), p.1756-1762

2015

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Four‐component relativistic DFT calculations of 77 Se NMR chemical shifts: A gateway to a reliable computational scheme for the medium‐sized organoselenium molecules

Journal of computational chemistry, 2015-09, Vol.36 (23), p.1756-1762

2015

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Four-component relativistic DFT calculations of ^sup 77^Se NMR chemical shifts: A gateway to a reliable computational scheme for the medium-sized organoselenium molecules

Journal of computational chemistry, 2015-09, Vol.36 (23), p.1756

2015

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First example of the correlated calculation of the one-bond tellurium-carbon spin-spin coupling constants: Relativistic effects, vibrational corrections, and solvent effects

Journal of computational chemistry, 2016-06, Vol.37 (15), p.1367-1372

2016

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

Magnetic resonance in chemistry, 2011-04, Vol.49 (4), p.190-194

2011

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Towards the versatile DFT and MP2 computational schemes for 31P NMR chemical shifts taking into account relativistic corrections

Magnetic resonance in chemistry, 2014-11, Vol.52 (11), p.699-710

2014

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Stereochemical behavior of geminal and vicinal 77Se-13C spin-spin coupling constants studied at the SOPPA(CC2) level taking into account relativistic corrections

Magnetic resonance in chemistry, 2015-02, Vol.53 (2), p.93-98

2015

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Relativistic Environmental Effects in 29 Si NMR Chemical Shifts of Halosilanes: Light Nucleus, Heavy Environment

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-06, Vol.119 (22), p.5778-5789

2015

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Relativistic Environmental Effects in 29Si NMR Chemical Shifts of Halosilanes: Light Nucleus, Heavy Environment

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-06

2015

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Geometries and NMR properties of cisplatin and transplatin revisited at the four-component relativistic level

Mendeleev communications, 2019-05, Vol.29 (3), p.315-317

2019

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

Magnetic resonance in chemistry, 2017-11, Vol.55 (11), p.990-995

2017

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Relativistic environmental effects in (29)Si NMR chemical shifts of halosilanes: light nucleus, heavy environment

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-06, Vol.119 (22), p.5778-5789

2015

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Stereochemical behavior of geminal and vicinal super(77)Se- super(13)C spin-spin coupling constants studied at the SOPPA(CC2) level taking into account relativistic corrections

Magnetic resonance in chemistry, 2015-02, Vol.53 (2), p.93-98

2015

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Stereochemical behavior of geminal and vicinal 77 Se– 13 C spin–spin coupling constants studied at the SOPPA(CC2) level taking into account relativistic corrections

Magnetic resonance in chemistry, 2015-02, Vol.53 (2), p.93-98

2015

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

Magnetic resonance in chemistry, 2015-07, Vol.53 (7), p.485-492

2015

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

Magnetic resonance in chemistry, 2018-11, Vol.56 (11), p.1061-1073

2018

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

Magnetic resonance in chemistry, 2015-07, Vol.53 (7), p.485-492

2015

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Indirect relativistic bridge and substituent effects from the 'heavy' environment on the one-bond and two-bond (13)C-(1)H spin-spin coupling constants

Magnetic resonance in chemistry, 2016-01, Vol.54 (1), p.39-45

2016

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Indirect relativistic bridge and substituent effects from the 'heavy' environment on the one-bond and two-bond 13C1H spin-spin coupling constants

Magnetic resonance in chemistry, 2016-01, Vol.54 (1), p.39-45

2016

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

Stereoselective synthesis of E-2-halovinyl tellanes, ditellanes and selenides based on tellurium tetrahalides, selenium dihalides and internal alkynes

Calculation of 15N and 31P NMR Chemical Shifts of Azoles, Phospholes, and Phosphazoles: A Gateway to Higher Accuracy at Less Computational Cost

Stereochemical behavior of 2J(Se,H) and 3J(Se,H) spin‐spin coupling constants across sp3 carbons: a theoretical scrutiny

Stereochemical behavior of 77Se-1H spin-spin coupling constants in pyrazolyl-1,3-diselenanes and 1,2-diselenolane

Four-component relativistic DFT calculations of (77) Se NMR chemical shifts: A gateway to a reliable computational scheme for the medium-sized organoselenium molecules

Four-component relativistic DFT calculations of 77Se NMR chemical shifts: A gateway to a reliable computational scheme for the medium-sized organoselenium molecules

Four‐component relativistic DFT calculations of 77 Se NMR chemical shifts: A gateway to a reliable computational scheme for the medium‐sized organoselenium molecules

Four-component relativistic DFT calculations of ^sup 77^Se NMR chemical shifts: A gateway to a reliable computational scheme for the medium-sized organoselenium molecules

First example of the correlated calculation of the one-bond tellurium-carbon spin-spin coupling constants: Relativistic effects, vibrational corrections, and solvent effects

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

Towards the versatile DFT and MP2 computational schemes for 31P NMR chemical shifts taking into account relativistic corrections

Stereochemical behavior of geminal and vicinal 77Se-13C spin-spin coupling constants studied at the SOPPA(CC2) level taking into account relativistic corrections

Relativistic Environmental Effects in 29 Si NMR Chemical Shifts of Halosilanes: Light Nucleus, Heavy Environment

Relativistic Environmental Effects in 29Si NMR Chemical Shifts of Halosilanes: Light Nucleus, Heavy Environment

Geometries and NMR properties of cisplatin and transplatin revisited at the four-component relativistic level

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

Relativistic environmental effects in (29)Si NMR chemical shifts of halosilanes: light nucleus, heavy environment

Stereochemical behavior of geminal and vicinal super(77)Se- super(13)C spin-spin coupling constants studied at the SOPPA(CC2) level taking into account relativistic corrections

Stereochemical behavior of geminal and vicinal 77 Se– 13 C spin–spin coupling constants studied at the SOPPA(CC2) level taking into account relativistic corrections

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

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

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

Indirect relativistic bridge and substituent effects from the 'heavy' environment on the one-bond and two-bond (13)C-(1)H spin-spin coupling constants

Indirect relativistic bridge and substituent effects from the 'heavy' environment on the one-bond and two-bond 13C1H spin-spin coupling constants

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