Structural revision of glabramycins B and C, antibiotics from the fungus Neosartorya glabra by DFT calculations of NMR chemical shifts and coupling constants

The Many Roles of Quantum Chemical Predictions in Synthetic Organic Chemistry

(2013) Quynh Nhu N. Nguyen et al.   Chemistry-An Asian Journal

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

(2013) Dean J. Tantillo   NATURAL PRODUCT REPORTS

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

Survey of marine natural product structure revisions: A synergy of spectroscopy and chemical synthesis

(2011) Takashi L. Suyama et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Computational Prediction of 1H and 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry

(2011) Michael W. Lodewyk et al.   CHEMICAL REVIEWS

Vicinal1H–1H NMR Coupling Constants from Density Functional Theory as Reliable Tools for Stereochemical Analysis of Highly Flexible Multichiral Center Molecules

(2011) Fabian López-Vallejo et al.   JOURNAL OF ORGANIC CHEMISTRY

Quantum-Chemical Simulation of1H NMR Spectra. 2.† Comparison of DFT-Based Procedures for Computing Proton–Proton Coupling Constants in Organic Molecules

(2011) Thomas Bally et al.   JOURNAL OF ORGANIC CHEMISTRY

Addressing the Stereochemistry of Complex Organic Molecules by Density Functional Theory-NMR: Vannusal B in Retrospective

(2011) Giacomo Saielli et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quasi-biomimetic ring contraction promoted by a cysteine-based nucleophile: Total synthesis of Sch-642305, some analogs and their putative anti-HIV activities

(2011) Alpay Dermenci et al.   Chemical Science

Quantum Mechanical Calculation of NMR Parameters in the Stereostructural Determination of Natural Products

(2010) Simone Di Micco et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

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

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

Discovery and antibacterial activity of glabramycin A–C from Neosartorya glabra by an antisense strategy

(2009) Hiranthi Jayasuriya et al.   JOURNAL OF ANTIBIOTICS

Recent Synthetic Studies Leading to Structural Revisions of Marine Natural Products

(2009) Yoshihide Usami   Marine Drugs

Structural revisions of natural products by total synthesis

(2009) Martin E. Maier   NATURAL PRODUCT REPORTS

Structural Reassignment of Obtusallenes V, VI, and VII by GIAO-Based Density Functional Prediction

(2008) D. Christopher Braddock et al.   JOURNAL OF NATURAL PRODUCTS

Structure Revision of Spiroleucettadine, a Sponge Alkaloid with a Bicyclic Core Meager in H-Atoms

(2008) Kimberly N. White et al.   JOURNAL OF ORGANIC CHEMISTRY

Density Functional Theory Calculation of13C NMR Shifts of Diazaphenanthrene Alkaloids: Reinvestigation of the Structure of Samoquasine A

(2008) Cody Timmons et al.   JOURNAL OF ORGANIC CHEMISTRY

Structure Revision of Hassananes with Use of Quantum Mechanical13C NMR Chemical Shifts and UV−Vis Absorption Spectra

(2008) Jing Yang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Remarks on GIAO-DFT predictions of13C chemical shifts

(2008) Katarzyna Dybiec et al.   MAGNETIC RESONANCE IN CHEMISTRY