Configurational Analysis by Residual Dipolar Couplings: Critical Assessment of “Structural Noise” from Thermal Vibrations

The Risks of Automation: A Study on DFT Energy Miscalculations and Its Consequences in NMR-based Structural Elucidation

(2020) Maribel O. Marcarino et al.   ORGANIC LETTERS

Configurational analysis by residual dipolar couplings: A critical assessment of diastereomeric differentiabilities

(2019) Stefan Immel et al.   CHIRALITY

Rapid structure determination of molecular solids using chemical shifts directed by unambiguous prior constraints

(2019) Albert Hofstetter et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

When not to rely on Boltzmann populations. Automated CASE-3D structure elucidation of hyacinthacines through chemical shift differences

(2019) Armando Navarro-Vázquez   MAGNETIC RESONANCE IN CHEMISTRY

Configurational Analysis by Residual Dipolar Coupling Driven Floating Chirality Distance Geometry Calculations

(2018) Stefan Immel et al.   CHEMISTRY-A EUROPEAN JOURNAL

Computer-Assisted 3D Structure Elucidation (CASE-3D) of Natural Products Combining Isotropic and Anisotropic NMR Parameters

(2018) Armando Navarro-Vázquez et al.   JOURNAL OF NATURAL PRODUCTS

Application of anisotropic NMR parameters to the confirmation of molecular structure

(2018) Yizhou Liu et al.   Nature Protocols

2 H and 13 C NMR-Based Enantiodetection Using Polyacetylene versus Polypeptide Aligning Media: Versatile and Complementary Tools for Chemists

(2018) Philippe Lesot et al.   ChemPlusChem

Positional Variance in NMR Crystallography

(2017) Albert Hofstetter et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Polyacetylenes as Enantiodifferentiating Alignment Media

(2012) Nils-Christopher Meyer et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Vibrational averaging of residual dipolar couplings: dependence on orientational order

(2010) J.W. Emsley   LIQUID CRYSTALS