Evaluating the accuracy of theoretical one-bond 13 C─13 C scalar couplings and their ability to predict structure in a natural product

Sesquiterpenes and other constituents of Xylaria sp. NC1214, a fungal endophyte of the moss Hypnum sp.

(2015) Han Wei et al.   PHYTOCHEMISTRY

Hidden Flexibility of Strychnine

(2014) Manuel Schmidt et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

13C NMR: nJCH and 1JCC scalar spin–spin coupling constants (SSCCs) for some 3-monosubstituted 2-methylpropenes

(2014) Ivânia T.A. Schuquel et al.   JOURNAL OF MOLECULAR STRUCTURE

Recent advances in computational predictions of NMR parameters for the structure elucidation of carbohydrates: methods and limitations

(2013) Filip V. Toukach et al.   CHEMICAL SOCIETY REVIEWS

Coniothyrione: anatomy of a structure revision

(2013) Gary E. Martin et al.   MAGNETIC RESONANCE IN CHEMISTRY

Quantum Chemical Calculations of 1JCC Coupling Constants for the Stereochemical Determination of Organic Compounds

(2013) Giuseppe Bifulco et al.   ORGANIC LETTERS

Modern quantum chemical methods for calculating spin–spin coupling constants: theoretical basis and structural applications in chemistry

(2013) Yu Yu Rusakov et al.   RUSSIAN CHEMICAL REVIEWS

The analysis of NMR J-couplings of saturated and unsaturated compounds by the localized second order polarization propagator approach method

(2012) Natalia Zarycz et al.   JOURNAL OF CHEMICAL PHYSICS

Substituent effects on indirect carbon-carbon couplings,J(CC), in substituted thiophenes, pyrroles, and furans studied by experiment and theory

(2012) Krystyna Kamieńska-Trela et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Experimental and Theoretical Investigation of 1JCC and nJCC Coupling Constants in Strychnine

(2012) R. Thomas Williamson et al.   ORGANIC LETTERS

Terpenoid and Phenolic Metabolites from the Fungus Xylaria sp. Associated with Termite Nests

(2011) Sha Yan et al.   CHEMISTRY & BIODIVERSITY

13C-13C spin-spin coupling constants in structural studies: XLII. Stereochemical study on functionalized 2,5-dihydrofuran-2-imines

(2011) S. S. Khutsishvili et al.   RUSSIAN JOURNAL OF ORGANIC CHEMISTRY

Structure and Dynamics of [3.3]Paracyclophane As Studied by Nuclear Magnetic Resonance and Density Functional Theory Calculations

(2010) Helena Dodziuk et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A SOPPA theoretical study of the spin–spin coupling constants of all fluorobenzenes C6HnF6−n (n=0–5)

(2009) Ibon Alkorta et al.   JOURNAL OF MOLECULAR STRUCTURE

Structural studies on aryl-substituted enaminoketones and their thio analogues. Part II. Experimental and DFT calculated carbon-carbon coupling constants,nJ(CC)'s (n= 1-3)

(2009) Marta Bugaj et al.   MAGNETIC RESONANCE IN CHEMISTRY

13C-13C spin-spin coupling constants in structural studies: XLIV. Carbonyl-containing oximes

(2009) N. V. Istomina et al.   RUSSIAN JOURNAL OF ORGANIC CHEMISTRY

Influence of Density Functionals and Basis Sets on One-Bond Carbon−Carbon NMR Spin−Spin Coupling Constants

(2008) R. Suardíaz et al.   Journal of Chemical Theory and Computation