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Theory and calculation of the phosphorescence phenomenon

Gleb, Baryshnikov, Boris, Minaev, Hans, Ågren

Dynamics and Self-Assembly of Bio-functionalized Gold Nanoparticles (AuNPs) in Solution: Reactive MD Simulations

Susanna, Monti, Giovanni, Barcaro, Luca, Sementa, Vincenzo, Carravetta, Hans, Ågren

Strong Topological States and High Charge Carrier Mobility in Tetraoxa[8]circulene Nanosheets

Kuklin, Artem V., Baryshnikov, Gleb V., Minaev, Boris F., Ignatova, Nina, Ågren, Hans

Spontaneous Decomposition of Fluorinated Phosphorene and Its Stable Structure

Artem, V Kuklin, Glib, V Baryshnikov, Hans, Ågren

Cyclo [18] carbon: Insight into Electronic Structure, Aromaticity, and Surface Coupling

Glib, V Baryshnikov, Rashid, R Valiev, Artem, V Kuklin, Dage, Sundholm, Hans, Ågren

Optimization of core-valence states of molecules

Valiev, Rashid R., Feifel, Raimund, Agren, Hans, Eland, John H. D.

introduced by Hans Jørgen Jensen 30 years ago. It confirms the utility of this algorithm, frequently employed

Recent progress in quantum chemistry of hetero[8]circulenes

Baryshnikov, Gleb V., Minaeva, Valentina A., Ågren, Hans, Minaev, Boris F., Karaush, Nataliya N.

A computational study of aromaticity and photophysical properties of unsymmetrical azatrioxa[8]circulenes

Valiev, Rashid R., Minaev, Boris F., Ågren, Hans, Baryshnikov, Gleb V.

Anion-induced exchange interactions in binuclear complexes of Cu(II) with flexible hexadentate bispicolylamidrazone ligands

Baryshnikov, Gleb V., Baryshnikova, Alina A., Agren, Hans, Minaev, Boris F.

Dye-sensitized lanthanide-doped upconversion nanoparticles

Wang, Xindong, Ohulchansky, Tymish Y., Ågren, Hans, Yang, Chunhui, Chen, Guanying, Valiev, Rashid R.

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