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1

Martini Force Field for Protonated Polyethyleneimine

Beu, Titus Adrian, Ailenei, Andrada‐Elena, Costinaş, Răzvan‐Ioan

Journal:

Journal of Computational Chemistry

Year:

2019

Language:

english

File:

PDF, 2.97 MB

english, 2019

2

GPU-accelerated computation of electron transfer

Siegfried Höfinger, Angela Acocella, Sergiu C. Pop, Tetsu Narumi, Kenji Yasuoka, Titus Beu, Francesco Zerbetto

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 369 KB

english, 2012

3

Vibrational spectra of ammonia clusters from n=3 to 18

Beu, Titus A., Buck, Udo

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 315 KB

english, 2001

4

Radiation-induced fragmentation of fullerenes

Beu, Titus A., Jurjiu, Aurel

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 647 KB

english, 2011

5

[AIP MODELING AND SIMULATION OF NEW MATERIALS: Proceedings of Modeling and Simulation of New Materials: Tenth Granada Lectures - Granada (Spain) (15–19 September 2008)] AIP Conference Proceedings - Simulations of radiation induced fragmentation of C[sub 60] fullerenes

Beu, Titus A., Marro, Joaquín, Garrido, Pedro L., Hurtado, Pablo I.

Year:

2009

File:

PDF, 369 KB

2009

6

polymers

Beu, Titus A., Onoe, Jun

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 980 KB

english, 2006

7

Structure of ammonia clusters from n=3 to 18

Beu, Titus A., Buck, Udo

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 700 KB

english, 2001

8

Atomistic and coarse-grained modeling of polyethyleneimine

Beu, Titus A., Ailenei, Andrada E., Farcaș, Alexandra

Journal:

Chemical Physics Letters

Year:

2019

Language:

english

File:

PDF, 1.76 MB

english, 2019

9

fragmentation

Beu, Titus A., Horváth, Lóránd, Ghişoiu, Ioan

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 1.06 MB

english, 2009

10

AIP Conference Proceedings [Author(s) TIM17 PHYSICS CONFERENCE - Timisoara, Romania (25–27 May 2017)] - Structure and dynamics of solvated polyethylenimine chains

Beu, Titus A., Farcaş, Alexandra

Year:

2017

Language:

english

File:

PDF, 1.39 MB

english, 2017

11

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

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.11 MB

english, 2011

12

Infrared spectroscopy of large ammonia clusters as a function of size

Steinbach, Christof, Buck, Udo, Beu, Titus A.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 292 KB

english, 2006

13

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

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 4.18 MB

english, 2010

14

Simulation of the flow of aqueous solutions through carbon nanotubes

Journal:

Computer Physics Communications

Year:

2011

Language:

english

File:

PDF, 579 KB

english, 2011

15

CHARMM force field and molecular dynamics simulations of protonated polyethylenimine

Beu, Titus Adrian, Farcaş, Alexandra

Journal:

Journal of Computational Chemistry

Year:

2017

Language:

english

File:

PDF, 1.73 MB

english, 2017

16

polymers

Beu, Titus A., Onoe, Jun, Hida, Akira

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 698 KB

english, 2005

17

Circulene covered fullerenes

Mircea V. Diudea, Aniela E. Vizitiu, Titus Beu, Attila Bende, Csaba L. Nagy, Dušanka Janežič

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 723 KB

english, 2009

18

[IEEE 2012 IEEE International Conference on Intelligent Computer Communication and Processing (ICCP) - Cluj-Napoca, Cluj, Romania (2012.08.30-2012.09.1)] 2012 IEEE 8th International Conference on Intelligent Computer Communication and Processing - Comparison between parallel and distributed molecular dynamics simulations of Lennard-Jones systems

Baja, Vlad, Gorgan, Dorian, Beu, Titus

Year:

2012

Language:

english

File:

PDF, 294 KB

english, 2012

19

Calculations of electron transfer in the tris[4-(2-thienyl)phenyl]amineâC70 donor-acceptor system

Beu, Titus-Adrian, Bende, Attila, FarcaÅ, Alex-Adrian

Journal:

Chemical Physics Letters

Year:

2020

File:

PDF, 1.68 MB

2020

20

Martini Force Field for Protonated Polyethyleneimine

Beu, Titus Adrian, Ailenei, Andrada‐Elena, Costinaş, Răzvan‐Ioan

Journal:

Journal of Computational Chemistry

Year:

2019

File:

PDF, 2.97 MB

2019

21

CHARMM force field for protonated polyethyleneimine

Beu, Titus Adrian, Ailenei, Andrada-Elena, Farcaş, Alexandra

Journal:

Journal of Computational Chemistry

Year:

2018

Language:

english

File:

PDF, 2.08 MB

english, 2018

22

Intermolecular vibrations of large ammonia clusters from helium atom scattering

Beu, Titus A., Steinbach, Christof, Buck, Udo

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 680 KB

english, 2002

23

Light-induced spin transitions in Ni(II)-based macrocyclic-ligand complexes: A DFT study

Farcaș, Alex-Adrian, Beu, Titus A., Bende, Attila

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

2019

File:

PDF, 806 KB

2019

24

AIP Conference Proceedings [AIP Publishing LLC TIM14 PHYSICS CONFERENCE - PHYSICS WITHOUT FRONTIERS - Timisoara, Romania (20–22 November 2014)] - Tight-binding vibrational analysis of single-wall carbon nanotubes

Beu, Titus A., Farcaş, Alexandra

Year:

2015

Language:

english

File:

PDF, 789 KB

english, 2015

25

[IEEE 2012 IEEE 12th International Conference on Nanotechnology (IEEE-NANO) - Birmingham, United Kingdom (2012.08.20-2012.08.23)] 2012 12th IEEE International Conference on Nanotechnology (IEEE-NANO) - Molecular Dynamics simulations of ionic transport through voltage-controlled carbon nanotubes

Beu, Titus Adrian

Year:

2012

Language:

english

File:

PDF, 566 KB

english, 2012

26

The vapor-liquid interface potential of (multi)polar fluids and its influence on ion solvation

Horváth, Lorand, Beu, Titus, Manghi, Manoel, Palmeri, John

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1003 KB

english, 2013

27

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

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 777 KB

english, 2011

28

Vibrations of polythiophenes

Sergiu C. Pop, Titus A. Beu

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 1.54 MB

english, 2012

29

Tight-binding molecular dynamics simulations of radiation-induced fragmentation of

Horváth, Lóránd, Beu, Titus A.

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 359 KB

english, 2008

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