Elucidating ‘undecipherable’ chemical structures using computer-assisted structure elucidation approaches

Residual Dipolar Couplings as a Powerful Tool for Constitutional Analysis: The Unexpected Formation of Tricyclic Compounds

(2011) Grit Kummerlöwe et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structural revisions of natural products by Computer-Assisted Structure Elucidation (CASE) systems

(2010) Mikhail Elyashberg et al.   NATURAL PRODUCT REPORTS

Organic structure determination using atomic-resolution scanning probe microscopy

(2010) Leo Gross et al.   Nature Chemistry

Development of a fast and accurate method of 13C NMR chemical shift prediction

(2009) Kirill A. Blinov et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

The Chemical Structure of a Molecule Resolved by Atomic Force Microscopy

(2009) L. Gross et al.   SCIENCE

Synthetic Studies of Cephalandole Alkaloids and the Revised Structure of Cephalandole A

(2008) Jeffrey J. Mason et al.   JOURNAL OF NATURAL PRODUCTS

NMR Studies of Phakellins and Isophakellins

(2008) Sven W. Meyer et al.   JOURNAL OF NATURAL PRODUCTS

Toward More Reliable13C and1H Chemical Shift Prediction:  A Systematic Comparison of Neural-Network and Least-Squares Regression Based Approaches

(2007) Yegor D. Smurnyy et al.   Journal of Chemical Information and Modeling

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

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