Ab initio modeling of helically periodic nanostructures using CRYSTAL17: A general algorithm first applied to nanohelicenes
Vitaly V. Porsev, Andrei V. Bandura, R. A. Évarestov
Topics & Concepts
Ab initioMaxima and minimaTranslational symmetrySuperposition principleTorsion (gastropod)AlgorithmElectronic structurePhysicsStatistical physicsMathematicsCondensed matter physicsMathematical analysisQuantum mechanicsSurgeryMedicineSynthesis and Properties of Aromatic CompoundsFullerene Chemistry and ApplicationsGraphene research and applications