Unequivocal determination of complex molecular structures using anisotropic NMR measurements

Computational Chemistry to the Rescue: Modern Toolboxes for the Assignment of Complex Molecules by GIAO NMR Calculations

(2016) Nicolas Grimblat et al.   CHEMISTRY-A EUROPEAN JOURNAL

Synergistic Combination of CASE Algorithms and DFT Chemical Shift Predictions: A Powerful Approach for Structure Elucidation, Verification, and Revision

(2016) Alexei V. Buevich et al.   JOURNAL OF NATURAL PRODUCTS

Enantioselective Model Synthesis and Progress toward the Putative Structure of Yuremamine

(2016) Avipsa Ghosh et al.   JOURNAL OF ORGANIC CHEMISTRY

One-Shot Determination of Residual Dipolar Couplings: Application to the Structural Discrimination of Small Molecules Containing Multiple Stereocenters

(2016) Laura Castañar et al.   JOURNAL OF ORGANIC CHEMISTRY

Synthesis of the Reported Pyranonaphthoquinone Structure of the Indoleamine-2,3-dioxygenase Inhibitor Annulin B by Regioselective Diels–Alder Reaction

(2016) Martyn Inman et al.   JOURNAL OF ORGANIC CHEMISTRY

Determination of Relative Configuration from Residual Chemical Shift Anisotropy

(2016) Nilamoni Nath et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Homodimericin A: A Complex Hexacyclic Fungal Metabolite

(2016) Emily Mevers et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

State of the art and perspectives in the application of quantum chemical prediction of1H and13C chemical shifts and scalar couplings for structural elucidation of organic compounds

(2016) Armando Navarro-Vázquez   MAGNETIC RESONANCE IN CHEMISTRY

Substrate-Controlled Asymmetric Total Synthesis and Structure Revision of (−)-Bisezakyne A

(2016) Iljin Shin et al.   ORGANIC LETTERS

Total Synthesis and Structural Revision of the Cytotoxin Aruncin B

(2016) Aubert Ribaucourt et al.   ORGANIC LETTERS

Structure Revision of an Acorane Sesquiterpene Cordycepol A

(2016) D. Sai Reddy et al.   ORGANIC LETTERS

Homodecoupled 1,1- and 1,n-ADEQUATE: Pivotal NMR Experiments for the Structure Revision of Cryptospirolepine

(2015) Josep Saurí et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Long-Range Residual Dipolar Couplings: A Tool for Determining the Configuration of Small Molecules

(2015) Nilamoni Nath et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Collection of NMR Scalar and Residual Dipolar Couplings Using a Single Experiment

(2015) Leandro F. Gil-Silva et al.   CHEMISTRY-A EUROPEAN JOURNAL

Total Synthesis of Aquatolide

(2015) Jordy M. Saya et al.   ORGANIC LETTERS

Turning Spiroketals Inside Out: A Rearrangement Triggered by an Enol Ether Epoxidation

(2015) Chris Lorenc et al.   ChemistryOpen

LR-HSQMBC: A Sensitive NMR Technique To Probe Very Long-Range Heteronuclear Coupling Pathways

(2014) R. Thomas Williamson et al.   JOURNAL OF ORGANIC CHEMISTRY

The impact of LR-HSQMBC very long-range heteronuclear correlation data on computer-assisted structure elucidation

(2014) K. A. Blinov et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Conformational Analysis of the Anti-obesity Drug Lorcaserin in Water: How To Take Advantage of Long-Range Residual Dipolar Couplings

(2013) Pablo Trigo-Mouriño et al.   CHEMISTRY-A EUROPEAN JOURNAL

Walking in the woods with quantum chemistry – applications of quantum chemical calculations in natural products research

(2013) Dean J. Tantillo   NATURAL PRODUCT REPORTS

X-ray analysis on the nanogram to microgram scale using porous complexes

(2013) Yasuhide Inokuma et al.   NATURE

Successful combination of computationally inexpensive GIAO 13C NMR calculations and artificial neural network pattern recognition: a new strategy for simple and rapid detection of structural misassignments

(2013) Ariel M. Sarotti   ORGANIC & BIOMOLECULAR CHEMISTRY

A Combined Atomic Force Microscopy and Computational Approach for the Structural Elucidation of Breitfussin A and B: Highly Modified Halogenated Dipeptides fromThuiaria breitfussi

(2012) Kine Ø. Hanssen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Correct Structure of Aquatolide—Experimental Validation of a Theoretically-Predicted Structural Revision

(2012) Michael W. Lodewyk et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Integrated approaches to the configurational assignment of marine natural products

(2012) Tadeusz F. Molinski et al.   TETRAHEDRON

Residual Chemical Shift Anisotropy (RCSA): A Tool for the Analysis of the Configuration of Small Molecules

(2011) Fernando Hallwass et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

More accurate 1JCH coupling measurement in the presence of 3JHH strong coupling in natural abundance

(2011) Bingwu Yu et al.   JOURNAL OF MAGNETIC RESONANCE

A device for the measurement of residual chemical shift anisotropy and residual dipolar coupling in soluble and membrane-associated proteins

(2010) Yizhou Liu et al.   JOURNAL OF BIOMOLECULAR NMR

Variable angle NMR spectroscopy and its application to the measurement of residual chemical shift anisotropy

(2010) Grit Kummerlöwe et al.   JOURNAL OF MAGNETIC RESONANCE

Organic structure determination using atomic-resolution scanning probe microscopy

(2010) Leo Gross et al.   Nature Chemistry

Residual Dipolar Couplings of Freely Rotating Groups in Small Molecules. Stereochemical Assignment and Side-Chain Conformation of 8-Phenylmenthol

(2009) Víctor M. Sánchez-Pedregal et al.   ORGANIC LETTERS

The Chemical Structure of a Molecule Resolved by Atomic Force Microscopy

(2009) L. Gross et al.   SCIENCE

De novo protein structure generation from incomplete chemical shift assignments

(2008) Yang Shen et al.   JOURNAL OF BIOMOLECULAR NMR

The CLIP/CLAP-HSQC: Pure absorptive spectra for the measurement of one-bond couplings

(2008) Andreas Enthart et al.   JOURNAL OF MAGNETIC RESONANCE

Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation

(2007) M.E. Elyashberg et al.   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY