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1

Performance of the Vienna ab initio simulation package (VASP) in chemical applications

Guangyu Sun, Jenö Kürti, Péter Rajczy, Miklos Kertesz, Jürgen Hafner, Georg Kresse

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2003

Langue:

english

Fichier:

PDF, 181 KB

english, 2003

2

A simple, geometrical approach to the steady-state solution of the Bloch equations

Csaba Szátay Jr., Jenö Kürti, Frank Janke

Journal:

Concepts in Magnetic Resonance Part A

Année:

1991

Langue:

english

Fichier:

PDF, 604 KB

english, 1991

3

Raman spectra of titanium dioxide (anatase, rutile) with identified oxygen isotopes (16, 17, 18)

Frank, Otakar, Zukalova, Marketa, Laskova, Barbora, Kürti, Jenö, Koltai, János, Kavan, Ladislav

Journal:

Physical Chemistry Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 1.76 MB

english, 2012

4

Application of a Novel Linear/Exponential Hybrid Force Field Scaling Scheme to the Longitudinal Raman Active Mode of Polyyne

Yang, Shujiang, Kertesz, Miklos, Zólyomi, Viktor, Kürti, Jenő

Journal:

Journal of Physical Chemistry A

Année:

2007

Langue:

english

Fichier:

PDF, 128 KB

english, 2007

5

Structure and energetics of neutral and negatively charged C60 dimers

Jenő Kürti, Károly Németh

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 428 KB

english, 1996

6

Phonon dispersion of small diameter semiconducting chiral carbon nanotubes – a theoretical study

János Koltai, Viktor Zólyomi, Jenő Kürti

Journal:

physica status solidi (b)

Année:

2008

Langue:

english

Fichier:

PDF, 184 KB

english, 2008

7

Theoretical study of the electronic structure and the totally symmetric vibrations of selected CoMoCat carbon nanotubes

Jenő Kürti, János Koltai, Viktor Zólyomi

Journal:

physica status solidi (b)

Année:

2008

Langue:

english

Fichier:

PDF, 139 KB

english, 2008

8

Using line group theory for the symmetry assignment of the phonons of single walled carbon nanotubes

Ádám Rusznyák, János Koltai, Viktor Zólyomi, Jenő Kürti

Journal:

physica status solidi (b)

Année:

2009

Langue:

english

Fichier:

PDF, 191 KB

english, 2009

9

Single-wall carbon nanotubes: spintronics in the Luttinger liquid phase

Balázs Dóra, Miklós Gulácsi, Ádám Rusznyák, János Koltai, Viktor Zólyomi, Jenö Kürti, Ferenc Simon

Journal:

physica status solidi (b)

Année:

2009

Langue:

english

Fichier:

PDF, 250 KB

english, 2009

10

Two component doping of fullerene–cubane cocrystals

Jenő Kürti, János Koltai, Viktor Zólyomi, Sándor Pekker

Journal:

physica status solidi (b)

Année:

2009

Langue:

english

Fichier:

PDF, 203 KB

english, 2009

11

Junctions of left- and right-handed chiral carbon nanotubes – nanobamboo

János Koltai, Ádám Rusznyák, Viktor Zólyomi, Jenő Kürti, István László

Journal:

physica status solidi (b)

Année:

2009

Langue:

english

Fichier:

PDF, 294 KB

english, 2009

12

Density of states deduced from ESR measurements on low-dimensional nanostructures; benchmarks to identify the ESR signals of graphene and SWCNTs

Péter Szirmai, Gábor Fábián, Balázs Dóra, János Koltai, Viktor Zólyomi, Jenő Kürti, Norbert M. Nemes, László Forró, Ferenc Simon

Journal:

physica status solidi (b)

Année:

2011

Langue:

english

Fichier:

PDF, 181 KB

english, 2011

13

Embedded units in conjugated polymers

Jenö Kürti, Péter R. Surján

Journal:

Journal of Mathematical Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 922 KB

english, 1992

14

Optical spectra of diels-alder adducts of C60

László Udvardi, Péter R. Surján, Jenö Kürti, Sándor Pekker

Journal:

Synthetic Metals

Année:

1995

Langue:

english

Fichier:

PDF, 167 KB

english, 1995

15

Vibrational analysis for short carbon chains with alternating and cumulenic structure

Jeno&amp, ̋ Kūrti, Csaba Magyar, András Balázs, Péter Rajczy

Journal:

Synthetic Metals

Année:

1995

Langue:

english

Fichier:

PDF, 265 KB

english, 1995

16

The geometry and the radial breathing mode of carbon nanotubes: beyond the ideal behaviour

Kürti, Jeno, Zólyomi, Viktor, Kertesz, Miklos, Guangyu, Sun

Journal:

New Journal of Physics

Année:

2003

Langue:

english

Fichier:

PDF, 746 KB

english, 2003

17

Oxygen-isotope labeled titania: Ti18O2

Kavan, Ladislav, Zukalova, Marketa, Ferus, Martin, Kürti, Jenő, Koltai, János, Civiš, Svatopluk

Journal:

Physical Chemistry Chemical Physics

Année:

2011

Langue:

english

Fichier:

PDF, 1.52 MB

english, 2011

18

Variations of the Geometries and Band Gaps of Single-Walled Carbon Nanotubes and the Effect of Charge Injection

Sun, Guangyu, Kürti, Jenö, Kertesz, Miklos, Baughman, Ray H.

Journal:

Journal of Physical Chemistry B

Année:

2003

Langue:

english

Fichier:

PDF, 238 KB

english, 2003

19

Dimensional Changes as a Function of Charge Injection in Single-Walled Carbon Nanotubes

Sun, Guangyu, Kürti, Jenö, Kertesz, Miklos, Baughman, Ray H.

Journal:

Journal of the American Chemical Society

Année:

2002

Langue:

english

Fichier:

PDF, 176 KB

english, 2002

20

On The Differences Between Neutral and Negatively Charged C 60 Dimers

Kürti, Jenö, Németh, Károly

Journal:

Fullerene Science and Technology

Année:

1997

Langue:

english

Fichier:

PDF, 631 KB

english, 1997

21

Theoretical vibrational optical activity of chiral carbon nanoparticles: Fullerenes and carbon nanotubes

Nagy, Péter R., Biró, László, Koltai, János, Surján, Péter R., Szabados, Ágnes, Kürti, Jenő

Journal:

physica status solidi (b)

Année:

2014

Langue:

english

Fichier:

PDF, 368 KB

english, 2014

22

In Situ Raman Spectroelectrochemistry of Single-Walled Carbon Nanotubes: Investigation of Materials Enriched with (6,5) Tubes

Kavan, Ladislav, Frank, Otakar, Green, Alexander A., Hersam, Mark C., Koltai, János, Zólyomi, Viktor, Kürti, Jenő, Dunsch, Lothar

Journal:

The Journal of Physical Chemistry C

Année:

2008

Langue:

english

Fichier:

PDF, 760 KB

english, 2008

23

Toward Synthesis and Characterization of Unconventional C 66 and C 68 Fullerenes inside Carbon Nanotubes

Zólyomi, Viktor, Peterlik, Herwig, Bernardi, Johannes, Bokor, Mónika, László, István, Koltai, János, Kürti, Jenő, Knupfer, Martin, Kuzmany, Hans, Pichler, Thomas, Simon, Ferenc

Journal:

The Journal of Physical Chemistry C

Année:

2014

Langue:

english

Fichier:

PDF, 858 KB

english, 2014

24

Dimensional change as a function of charge injection in graphite intercalation compounds: A density functional theory study

Sun, Guangyu, Kertesz, Miklos, Kürti, Jenõ, Baughman, Ray H.

Journal:

Physical Review B

Année:

2003

Langue:

english

Fichier:

PDF, 72 KB

english, 2003

25

I-band-like non-dispersive inter-shell interaction induced Raman lines in the D-band region of double-walled carbon nanotubes

Gyimesi, Bálint, Koltai, János, Zólyomi, Viktor, Kürti, Jenő

Journal:

Applied Physics A: Materials Science & Processing

Année:

2015

Langue:

english

Fichier:

PDF, 1.84 MB

english, 2015

26

Hydrocarbon chains and rings: bond length alternation in finite molecules

Kürti, Jenő, Koltai, János, Gyimesi, Bálint, Zólyomi, Viktor

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2015

Langue:

english

Fichier:

PDF, 1.76 MB

english, 2015

27

Resonance Raman Optical Activity of Single Walled Chiral Carbon Nanotubes

Nagy, Péter R., Koltai, Janos, Surjan, Peter R., Kurti, Jeno, Szabados, Agnes

Journal:

Journal of Physical Chemistry A

Année:

2016

Langue:

english

Fichier:

PDF, 459 KB

english, 2016

28

Raman spectra of hydrocarbons formed in carbon nanotubes - a theoretical study

Kürti, Jenő, Koltai, János, Gyimesi, Bálint, Kuzmany, Hans

Journal:

physica status solidi (b)

Année:

2015

Langue:

english

Fichier:

PDF, 518 KB

english, 2015

29

Preparing local strain patterns in graphene by atomic force microscope based indentation

Nemes-Incze, Péter, Kukucska, Gergő, Koltai, János, Kürti, Jenő, Hwang, Chanyong, Tapasztó, Levente, Biró, László P.

Journal:

Scientific Reports

Année:

2017

Langue:

english

Fichier:

PDF, 5.13 MB

english, 2017

30

The growth of new extended carbon nanophases from ferrocene inside single-walled carbon nanotubes

Kuzmany, Hans, Shi, Lei, Kürti, Jenő, Koltai, János, Chuvilin, Andrey, Saito, Takeshi, Pichler, Thomas

Journal:

physica status solidi (RRL) - Rapid Research Letters

Année:

2017

Langue:

english

Fichier:

PDF, 686 KB

english, 2017

31

Molecular Dynamics Simulation of Carbon Structures Inside Small Diameter Carbon Nanotubes

László, István, Gyimesi, Bálint, Koltai, János, Kürti, Jenő

Journal:

physica status solidi (b)

Année:

2017

Langue:

english

Fichier:

PDF, 2.45 MB

english, 2017