Theoretical studies of 31P NMR spectral properties of phosphanes and related compounds in solution

Unusual Ru(III) Chloro Complexes Containing Bis-dentate Ligands

(2010)   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

Assigning Stereochemistry to Single Diastereoisomers by GIAO NMR Calculation: The DP4 Probability

(2010) Steven G. Smith et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Phosphorus Chemical Shifts in a Nucleic Acid Backbone from Combined Molecular Dynamics and Density Functional Calculations

(2010) Jana Přecechtělová et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

NMR Spectra of Terminal Oxo Gold and Platinum Complexes: Relativistic DFT Predictions

(2009) Alessandro Bagno et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The performance of computational techniques in locating the charge separated intermediates in organocatalytic transformations

(2009) Yin Wei et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Organocatalytic Dimerization of Ketoketenes

(2009) Ahmad A. Ibrahim et al.   JOURNAL OF ORGANIC CHEMISTRY

The Rauhut–Currier reaction: a history and its synthetic application

(2009) Carrie E. Aroyan et al.   TETRAHEDRON

A DFT study of uracil and 5-bromouracil in nanodroplets

(2009) Tanja van Mourik et al.   THEORETICAL CHEMISTRY ACCOUNTS

Preferential Solvation and Hydrogen Bonding in Mixed Solvents

(2008) Joanne L. Cook et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ab initio calculations of 31P NMR chemical shielding tensors in alkyl phosphorus compounds and comparison with experimental values

(2008) Mahdi Rezaei-Sameti   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Tributylphosphine-Catalyzed Cycloaddition of Aziridines with Carbon Disulfide and Isothiocyanate

(2008) Jing-Yu Wu et al.   JOURNAL OF ORGANIC CHEMISTRY

Complexation of Phenols and Thiophenol by Phosphine Oxides and Phosphates. Extraction, Isothermal Titration Calorimetry, and ab Initio Calculations

(2008) Ruud Cuypers et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Methyl Cation Affinities of Commonly Used Organocatalysts

(2008) Yin Wei et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Advances in the Baylis–Hillman reaction-assisted synthesis of cyclic frameworks

(2008) Vijay Singh et al.   TETRAHEDRON