Towards the versatile DFT and MP2 computational schemes for31P NMR chemical shifts taking into account relativistic corrections

Quantum chemical calculations of NMR chemical shifts of organic molecules: XI. Conformational and relativistic effects on the 31P and 77Se chemical shifts of phosphine selenides

(2013) K. A. Chernyshev et al.   RUSSIAN JOURNAL OF ORGANIC CHEMISTRY

Quantum-chemical calculations of NMR chemical shifts of organic molecules: IX. Electronic structure of [dimethylamino(chloro)methylideneamino]trichlorophosphonium hexachlorophosphate: Azomethine or azophosphine?

(2013) K. A. Chernyshev et al.   RUSSIAN JOURNAL OF ORGANIC CHEMISTRY

Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations

(2012) Trygve Helgaker et al.   CHEMICAL REVIEWS

The effects of intramolecular and intermolecular coordination on 31P nuclear shielding: phosphorylated azoles

(2012) Kirill A. Chernyshev et al.   MAGNETIC RESONANCE IN CHEMISTRY

Characterization of Secondary and Primary (Hydroxymethyl)Phosphines and Their Oxidation Products: Synergism in Pulp-Bleaching

(2012) Dmitry V. Moiseev et al.   PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS

Quantum-chemical calculation of NMR chemical shifts of organic molecules: III. Intramolecular coordination effects on the 31P NMR chemical shifts of phosphorylated N-vinylazoles

(2012) K. A. Chernyshev et al.   RUSSIAN JOURNAL OF ORGANIC CHEMISTRY

Quantum-chemical calculations of NMR chemical shifts of organic molecules: IV. Effect of intermolecular coordination on 31P NMR shielding constants and chemical shifts of molecular complexes of phosphorus pentachloride with azoles

(2012) K. A. Chernyshev et al.   RUSSIAN JOURNAL OF ORGANIC CHEMISTRY

Quantum-chemical calculations of chemical shifts in NMR spectra of organic molecules: V. Stereochemical structure of unsaturated phosphonic acids dichlorides from 31P NMR spectral data

(2012) K. A. Chernyshev et al.   RUSSIAN JOURNAL OF ORGANIC CHEMISTRY

NMR Shielding Constants in PH3, Absolute Shielding Scale, and the Nuclear Magnetic Moment of31P

(2011) Perttu Lantto et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Quantum-chemical calculations of NMR chemical shifts of organic molecules: II. Influence of medium, relativistic effects, and vibrational corrections on phosphorus magnetic shielding constants in the simplest phosphines and phosphine chalcogenides

(2011) K. A. Chernyshev et al.   RUSSIAN JOURNAL OF ORGANIC CHEMISTRY

The Michaelis–Becker Reaction in Phosphonium and Imidazolium Ionic Liquids

(2010) Anh P. Vu et al.   PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS

Synthesis and Characterization of O,S-Dimethylphosphoramidothioate and N-Acetyl O,S-Dimethylphosphoramidothioate

(2010) S. Ghadimi et al.   PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS

Quantum-chemical calculations of NMR chemical shifts of organic molecules: I. Phosphines, phosphine oxides, and phosphine sulfides

(2010) K. A. Chernyshev et al.   RUSSIAN JOURNAL OF ORGANIC CHEMISTRY

Further conventions for NMR shielding and chemical shifts (IUPAC Recommendations 2008)

(2008) Robin K. Harris et al.   PURE AND APPLIED CHEMISTRY

Ab initio characterization of XH3 (X = N,P). Part II. Electric, magnetic and spectroscopic properties of ammonia and phosphine

(2008) Cristina Puzzarini   THEORETICAL CHEMISTRY ACCOUNTS