Nina Gonnella
7PUBLICATIONS
10CO-AUTHORS
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Publications (7)
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|Jul 14, 2025
DFT-GIAO 19F NMR Chemical Shift Prediction Using B3LYP/pcSseg-3: Application to Augment Structure Elucidation of Drug-like Organic Molecules.Rittik K Ghosh, Gabriel A Valdivia-Berroeta, Dongyue Xin
|Dec 21, 2023
Predicting Autoxidation of Sulfides in Drug-like Molecules Using Quantum Mechanical/Density Functional Theory Methods.Arnab Bose, Gabriel A Valdivia-Berroeta, Nina C Gonnella
|Jul 13, 2023
Practical Synthesis of Terminal Vinyl Fluorides.Ivan Volchkov, Brent V Powell, Olga V Zatolochnaya
|Jun 29, 2023
N-oxidation Regioselectivity and Risk Prediction Using DFT-ALIE Calculations.Gabriel A Valdivia-Berroeta, Nina C Gonnella
|Nov 06, 2019
Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.Harald Engelhardt, Dietrich Böse, Mark Petronczki
|Apr 07, 2018
D iCE: Diastereomeric in Silico Chiral Elucidation, Expanded DP4 Probability Theory Method for Diastereomer and Structural Assignment.Dongyue Xin, Paul-James Jones, Nina C Gonnella
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Frequent Collaborators
2 joint publications
Jonathan T Reeves
1 joint publications
Gabriel A Valdivia-Berroeta
1 joint publications
Joyce C Leung
1 joint publications
Bangaru Bhaskararao
1 joint publications
Marisa C Kozlowski
1 joint publications
Dongyue Xin
1 joint publications
Harald Engelhardt
1 joint publications
Eugene Chong
1 joint publications
Peter Ettmayer
1 joint publications
Nitinchandra D Patel
