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Organic & Biomolecular Chemistry|September 16, 2020
Deconvolution of fast exchange equilibrium states in NMR spectroscopy using virtual reference standards and probability theoryXiaozhou Ji, Nina C Gonnella, Dongyue Xin
Pharmaceutical Research|June 29, 2023
N-oxidation Regioselectivity and Risk Prediction Using DFT-ALIE CalculationsGabriel A Valdivia-Berroeta, Nina C Gonnella
The Journal of Organic Chemistry|April 7, 2018
D iCE: Diastereomeric in Silico Chiral Elucidation, Expanded DP4 Probability Theory Method for Diastereomer and Structural AssignmentDongyue Xin, Paul-James Jones, Nina C Gonnella
Current Medicinal Chemistry|November 17, 2004
The design, structure, and clinical update of small molecular weight matrix metalloproteinase inhibitorsJerry W Skiles, Nina C Gonnella, Arco Y Jeng
Journal of Chemical Information and Modeling|December 21, 2023
Predicting Autoxidation of Sulfides in Drug-like Molecules Using Quantum Mechanical/Density Functional Theory MethodsArnab Bose, Gabriel A Valdivia-Berroeta, Nina C Gonnella
Magnetic Resonance in Chemistry : MRC|October 8, 2009
1H and 13C NMR assignments of all three isomeric o-fluoronaphthaldehydes and three o-fluorophenanthrene aldehydesCarl A Busacca, Scot Campbell, Nina C Gonnella, et al.
The Journal of Organic Chemistry|July 14, 2025
DFT-GIAO <sup>19</sup>F NMR Chemical Shift Prediction Using B3LYP/pcSseg-3: Application to Augment Structure Elucidation of Drug-like Organic MoleculesRittik K Ghosh, Gabriel A Valdivia-Berroeta, Dongyue Xin, et al.
Magnetic Resonance in Chemistry : MRC|July 4, 2015
Three-dimensional structure of cyclic antibiotic teicoplanin aglycone using NMR distance and dihedral angle restraints in a DMSO solvation modelNina C Gonnella, Nelu Grinberg, Mark Mcloughlin, et al.
PDA Journal of Pharmaceutical Science and Technology|June 12, 2013
Automated Solid Phase Extraction (SPE) LC/NMR Applied to the Structural Analysis of Extractable Compounds from a Pharmaceutical Packaging Material of ConstructionDaniel L Norwood, James O Mullis, Mark Davis, et al.
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