Molecular dynamics simulations of ion transport through carbon nanotubes. I. Influence of geometry, ion specificity, and many-body interactions by Beu, Titus A.

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Light-induced spin transitions in Ni(II)-based macrocyclic-ligand complexes: A DFT study by Farcaș, Alex-Adrian, Beu, Titus A., Bende, Attila

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Molecular dynamics simulations of ion transport through carbon nanotubes. III. Influence of the nanotube radius, solute concentration, and applied electric fields on the transport... by Beu, Titus A.

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Molecular dynamics simulations of ion transport through carbon nanotubes. II. Structural effects of the nanotube radius, solute concentration, and applied electric fields by Beu, Titus A.

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Infrared spectroscopy of large ammonia clusters as a function of size by Steinbach, Christof, Buck, Udo, Beu, Titus A.

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Tight-binding vibrational analysis of single-wall carbon nanotubes by Beu, Titus A, Farcaş Alexandra

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Structure of ammonia clusters from n=3 to 18 by Beu, Titus A., Buck, Udo

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Simulations of radiation induced fragmentation of C60 fullerenes by Beu, Titus A

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Vibrational spectra of ammonia clusters from n=3 to 18 by Beu, Titus A., Buck, Udo

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Atomistic and coarse-grained modeling of polyethyleneimine by Beu, Titus A., Ailenei, Andrada E., Farcaș, Alexandra

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Structure and dynamics of solvated polyethylenimine chains by Beu, Titus A., Farcaş, Alexandra

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Simulation of the flow of aqueous solutions through carbon nanotubes by Beu, Titus A.

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First-principles calculations of the electronic structure of one-dimensional C60 polymers by BEU, Titus A, ONOE, Jun, HIDA, Akira

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Tight-binding molecular dynamics simulations of radiation-induced fragmentation of C 60 by Horváth, Lóránd, Beu, Titus A.

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Vibrations of polythiophenes by Pop, Sergiu C., Beu, Titus A.

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First-principles calculations of the vibrational spectra of one-dimensional C 60 polymers by Beu, Titus A., Onoe, Jun

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Radiation-induced fragmentation of fullerenes by Beu, Titus A., Jurjiu, Aurel

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Intermolecular vibrations of large ammonia clusters from helium atom scattering by Beu, Titus A., Steinbach, Christof, Buck, Udo

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First-principles calculations of the electronic structure of one-dimensional C 60 polymers by Beu, Titus A., Onoe, Jun, Hida, Akira

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Tight-binding molecular dynamics simulations of radiation-induced C 60 fragmentation by Beu, Titus A., Horváth, Lóránd, Ghişoiu, Ioan

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