Ana Carolina Ferreira de Albuquerque

Structural characterisation of natural products by means of quantum chemical calculations of NMR parameters: new insights

Fábio Luiz Paranhos Costa, Ana Carolina Ferreira de Albuquerque, Rodolfo G. Fiorot et al. · Organic Chemistry Frontiers · 2021 · 91 citations

Engineering, Machine Learning, Magnetic Resonance +19

Use of a theoretical prediction method and quantum chemical calculations for the design, synthesis and experimental evaluation of three green corrosion inhibitors for mild steel

Caio Machado Fernandes, Vitória G. S. S. Pina, Leonardo X. Álvarez et al. · Colloids and Surfaces A Physicochemical and Engineering Aspects · 2020 · 53 citations · Full text

Materials Science, Chemical Engineering, Corrosion Protection +9

GIAO‐HDFT scaling factor for ¹³C NMR chemical shifts calculation

Fábio Luiz Paranhos Costa, Ana Carolina Ferreira de Albuquerque, Fernando Martins dos Santos et al. · Journal of Physical Organic Chemistry · 2010 · 36 citations

Chemical Engineering, Engineering, Chemical Analysis +15

Absolute Configuration of (−)-Centratherin, a Sesquiterpenoid Lactone, Defined by Means of Chiroptical Spectroscopy

M. S. Fernando, Cody Covington, Ana Carolina Ferreira de Albuquerque et al. · Journal of Natural Products · 2015 · 36 citations

Structural determination of complex natural products by quantum mechanical calculations of 13C NMR chemical shifts: development of a parameterized protocol for terpenes

Ana Carolina Ferreira de Albuquerque, Daniel Joras Ribeiro, Mauro Barbosa de Amorim · Journal of Molecular Modeling · 2016 · 21 citations

Engineering, Chemical Analysis, Biochemistry +11