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Publications by Licínia L. G. Justino
Density Functional Theory Study of the Oxoperoxo Vanadium(V) Complexes of Glycolic Acid. Structural Correlations With NMR Chemical Shifts
Dalton Transactions
Inorganic Chemistry
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Prediction of 89Y NMR Chemical Shifts in Organometallic Complexes With Density Functional Theory
Density Functional Study of the 13C NMR Chemical Shifts in Small-To-Medium-Diameter Infinite Single-Walled Carbon Nanotubes
Density Functional Theory Study of Redox Potential Shifts in LixMnyFe1yPO4 Battery Electrodes
Four-Component Relativistic Density Functional Theory With the Polarisable Continuum Model: Application to EPR Parameters and Paramagnetic NMR Shifts
Molecular Physics
Theoretical Chemistry
Biophysics
Condensed Matter Physics
Molecular Biology
Physical
Density Functional Theory Study of the Effects of Substituents on the Carbon-13 Nuclear Magnetic Resonance Chemical Shifts of Asphaltene Model Compounds
Energy & Fuels
Fuel Technology
Power Technology
Chemical Engineering
Energy Engineering
Zinc Surface Complexes on Birnessite: A Density Functional Theory Study
Geochimica et Cosmochimica Acta
Petrology
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Nuclear Magnetic Resonance Chemical Shifts With the Statistical Average of Orbital-Dependent Model Potentials in Kohn–Sham Density Functional Theory
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Towards an Accurate Prediction of Nitrogen Chemical Shifts by Density Functional Theory and Gauge-Including Atomic Orbital
Advanced Theory and Simulations
Numerical Analysis
Statistics
Probability
Multidisciplinary
Simulation
Modeling
A NMR Experiment for Simultaneous Correlations of Valine and Leucine/Isoleucine Methyls With Carbonyl Chemical Shifts in Proteins
Journal of Biomolecular NMR
Biochemistry
Spectroscopy
