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List of works by Armando Navarro-Vázquez

1,2-Didehydro[10]annulenes:  Structures, Aromaticity, and Cyclizations

scientific article (publication date: June 2005)

A DFT/machine-learning hybrid method for the prediction of 3 JHCCH couplings

scientific article published on 18 August 2020

A graphical tool for the prediction of vicinal proton-proton 3J(HH) coupling constants

scientific article published on 01 September 2004

A study of aryl radical cyclization in enaminone esters

scientific article published on 01 May 2002

Author Correction: Relative configuration of micrograms of natural compounds using proton residual chemical shift anisotropy

scientific article published on 29 September 2020

Challenge of large-scale motion for residual dipolar coupling based analysis of configuration: the case of fibrosterol sulfate A.

scientific article published on 23 August 2011

Chiral (2,5)pyrido[7(4)]allenoacetylenic cyclophanes: synthesis and characterization

scientific article published on 01 June 2009

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

scientific article published on 30 October 2015

Computational Studies on the Cyclizations of Enediynes, Enyne-Allenes, and Related Polyunsaturated Systems†

article published in 2005

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

scientific article

Computer-Assisted 3D Structure Elucidation (CASE-3D): The Structural Value of 2 JCH in Addition to 3 JCH Coupling Constants

scientific article published on 30 January 2020

Computer-Assisted 3D Structure Elucidation of Natural Products using Residual Dipolar Couplings

scientific article

Configuration determination by residual dipolar couplings: accessing the full conformational space by molecular dynamics with tensorial constraints

scientific article published on 29 July 2019

Conformational analysis of the anti-obesity drug lorcaserin in water: how to take advantage of long-range residual dipolar couplings

scientific article

Conformational stable alleno-acetylenic cyclophanes bearing chiral axes

scientific article published on 19 March 2014

Cope Reaction Families:  To Be or Not to Be a Biradical

scientific article published in 2004

Cyclic Peptide Design Guided by Residual Dipolar Couplings, J-Couplings, and Intramolecular Hydrogen Bond Analysis

scientific article published on 15 January 2019

Cyclic allene intermediates in intramolecular dehydro Diels-Alder reactions: labeling and theoretical cycloaromatization studies.

scientific article published in March 2003

Deantiaromatization as a Driving Force in an Electrocyclic Reaction

scholarly article by Michael Harmata et al published 13 March 2006 in Angewandte Chemie International Edition

Deuterium Residual Quadrupolar Couplings: Crossing the Current Frontiers in the Relative Configuration Analysis of Natural Products

scientific article published on 24 September 2020

Diastereoselectivity in an electrocyclization reaction of cyclopentadienones

Disodium cromoglycate: exploiting its properties as a NMR weak-aligning medium for small organic molecules.

scientific article

Dynamics of the glycosidic bond: conformational space of lactose.

scientific article

Effect of the solvent on the conformation of monocrotaline as determined by isotropic and anisotropic NMR parameters

scientific article published on 12 November 2019

Experimental and computational exploration of indolizinyl carbene generation. A route to biindolizines.

scientific article published on 13 April 2011

Herpotrichones A and B, Two Intermolecular [4 + 2] Adducts with Anti-Neuroinflammatory Activity from a Herpotrichia Species

scientific article published on 24 December 2019

How large a 3 JHCCH coupling can be? Prediction of giant vicinal couplings in quinoid systems

scientific article published on 07 May 2020

Influence of solvent and salt concentration on the alignment properties of acrylamide copolymer gels for the measurement of RDC.

scientific article

Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones

scientific article published on 20 January 2015

Is Enantiomer Assignment Possible by NMR Spectroscopy Using Residual Dipolar Couplings from Chiral Nonracemic Alignment Media?-A Critical Assessment

scientific article published on 10 July 2012

Karplus relationships of the 2 JHNα and 3 JΗΝβ couplings in organic azides

scientific article published on 14 September 2020

Lanthanide-chelating carbohydrate conjugates are useful tools to characterize carbohydrate conformation in solution and sensitive sensors to detect carbohydrate-protein interactions.

scientific article published on 27 May 2014

MSpin-JCoupling. A modular program for prediction of scalar couplings and fast implementation of Karplus relationships.

scientific article

MSpin-RDC. A program for the use of residual dipolar couplings for structure elucidation of small molecules.

scientific article published in December 2012

Measurement of residual chemical shift anisotropies in compressed polymethylmethacrylate gels. Automatic compensation of gel isotropic shift contribution

scientific article

Mechanical Behavior of Polymer Gels for RDCs and RCSAs Collection: NMR Imaging Study of Buckling Phenomena.

scientific article published on 14 October 2016

Mechanistic investigation on the formation of indolizines from 2-enynylpyridines

scientific article published on 01 November 2009

Modeling dinitrogen activation by lithium: a mechanistic investigation of the cleavage of N2 by stepwise insertion into small lithium clusters

scientific article published on 01 September 2009

NMR spectral fingerprint patterns as diagnostics for the unambiguous configurational analysis of the classic organo-gelator 1,3:2,4-dibenzylidene-d-sorbitol (DBS) and its derivatives

scientific article published on 25 December 2020

Phytochemical Study of Senecio volckmannii Assisted by CASE-3D with Residual Dipolar Couplings and Isotropic H/C NMR Chemical Shifts

scientific article published on 25 October 2018

Potent antiprotozoal activity of a novel semi-synthetic berberine derivative.

scientific article published on 27 January 2011

Preparation and Characterization of a Halogen-Bonded Shape-Persistent Chiral Alleno-acetylenic Inclusion Complex

scientific article published on 10 February 2014

Preparation of 13C4-6-methyl anthranilic ester via a Diels-Alder-type process. an experimental and theoretical study to characterize an unexpected isotope exchange

scientific article published on 01 August 2005

Probing heterocycle conformation with residual dipolar couplings.

scientific article published on 13 July 2010

Relative configuration of micrograms of natural compounds using proton residual chemical shift anisotropy

scientific article published on 01 September 2020

Residual chemical shift anisotropy (RCSA): a tool for the analysis of the configuration of small molecules

scientific article published on 13 September 2011

Residual dipolar coupling enhanced NMR spectroscopy and chiroptics: a powerful combination for the complete elucidation of symmetrical small molecules

scientific article published on 16 September 2011

Residual dipolar couplings of freely rotating groups in small molecules. Stereochemical assignment and side-chain conformation of 8-phenylmenthol

scientific article published on 01 April 2009

Rotation-Locked 2,6-Pyrido-allenophanes: Characterization of all Stereoisomers

scientific article published on 11 September 2012

Self-Sensitized Photooxygenation of 2H-Pyrans: Characterization of Unexpected Products Assisted by Computed Structural Elucidation and Residual Dipolar Couplings.

scientific article published on 15 July 2015

Single experiment measurement of residual dipolar couplings in aqueous solution using a biphasic bisperylene imide chromonic liquid crystal

scientific article published on 08 December 2020

Stereochemical Elucidation of Natural Products from Residual Chemical Shift Anisotropies in a Liquid Crystalline Phase

scientific article published on 14 January 2020

Stereochemistry determination by powder X-ray diffraction analysis and NMR spectroscopy residual dipolar couplings

scientific article published on 01 January 2009

Strained intermediates in intramolecular dehydro Diels-Alder reactions: rearrangement of cyclic allenes via 1,2-dehydro[10]annulenes

scientific article published on 01 September 2001

The binding mode of side chain- and C3-modified epothilones to tubulin.

scientific article

Unexpected behavior of the 3 JCH coupling constant in unsaturated compounds

scientific article published on 07 June 2019

Unprecedented stereoselective synthesis of cyclopenta[b]benzofuran derivatives and their characterisation assisted by aligned media NMR and 13C chemical shift ab initio predictions

scientific article published on 14 March 2011

Weizhouochrones: Gorgonian-Derived Symmetric Dimers and Their Structure Elucidation Using Anisotropic NMR Combined with DP4+ Probability and CASE-3D

scientific article published in 2022

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

scientific article published on 10 November 2019

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