Miklos Kertesz: search on Z-Library

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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

Year:

2003

Language:

english

File:

PDF, 181 KB

english, 2003

2

Pancake bonding, an unusual pi-stacking interaction

Kertesz, Miklos

Journal:

Chemistry - A European Journal

Year:

2018

Language:

english

File:

PDF, 2.04 MB

english, 2018

3

Interpolation of singular energy bands

Kertész, Miklós, Vonderviszt, Ferenc

Journal:

Physical Review B

Year:

1982

Language:

english

File:

PDF, 82 KB

english, 1982

4

Ab initio numerical studies on density-matrix asymptotics in extended systems

Surján, Péter R., Kertész, Miklós, Karpfen, Alfred, Koller, Jože

Journal:

Physical Review B

Year:

1983

Language:

english

File:

PDF, 233 KB

english, 1983

5

Electronic Structure of Helicenes, C 2 S Helicenes, and Thiaheterohelicenes

Tian, Yong-Hui, Park, Gyoosoon, Kertesz, Miklos

Journal:

Chemistry of Materials

Year:

2008

Language:

english

File:

PDF, 582 KB

english, 2008

6

Electronic structure and metallization of silicon

Biswas, Rana, Kertesz, Miklos

Journal:

Physical Review B

Year:

1984

Language:

english

File:

PDF, 462 KB

english, 1984

7

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

Year:

2007

Language:

english

File:

PDF, 128 KB

english, 2007

8

Where concepts meet the real world: A systematic review of ecosystem service indicators and their classification using CICES

Czúcz, Bálint, Arany, Ildikó, Potschin-Young, Marion, Bereczki, Krisztina, Kertész, Miklós, Kiss, Márton, Aszalós, Réka, Haines-Young, Roy

Journal:

Ecosystem Services

Year:

2018

Language:

english

File:

PDF, 577 KB

english, 2018

9

Conformational Studies of Vibrational Properties and Electronic States of Leucoemeraldine Base and Its Oligomers

Choi, Cheol Ho, Kertesz, Miklos

Journal:

Year:

1997

Language:

english

File:

PDF, 209 KB

english, 1997

10

Molecules Under Pressure: The Case of [n]Cycloparaphenylenes

Peña-Alvarez, Miriam, Qiu, Lili, Baonza, Valentín G., Taravillo, Mercedes, Kertesz, Miklos, Casado, Juan

Journal:

Chemistry of Materials

Year:

2018

Language:

english

File:

PDF, 2.73 MB

english, 2018

11

Enhancement of Ecological Field Experimental Research by Means of UAV Multispectral Sensing

Díaz-Delgado, Ricardo, Ónodi, Gábor, Kröel-Dulay, György, Kertész, Miklós

Journal:

Year:

2019

File:

PDF, 4.57 MB

2019

12

Octahedral vs. trigonal-prismatic coordination and clustering in transition-metal dichalcogenides

Hoffmann, Roald, Kertesz, Miklos

Journal:

Journal of the American Chemical Society

Year:

1984

Language:

english

File:

PDF, 808 KB

english, 1984

13

Hypothetical metallic allotrope of carbon

Hoffmann, Roald, Hughbanks, Timothy, Kertesz, Miklos, Bird, Peter H.

Journal:

Journal of the American Chemical Society

Year:

1983

Language:

english

File:

PDF, 292 KB

english, 1983

14

Is There a Lower Limit to the CC Bonding Distances in Neutral Radical π-Dimers? The Case of Phenalenyl Derivatives

Tian, Yong-Hui, Kertesz, Miklos

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 217 KB

english, 2010

15

Properties of Sizeable [ n ]Cycloparaphenylenes as Molecular Models of Single-Wall Carbon Nanotubes Elucidated by Raman Spectroscopy: Structural and Electron-Transfer Responses under Mechanical Stress

Alvarez, Miriam Peña, Burrezo, Paula Mayorga, Kertesz, Miklos, Iwamoto, Takahiro, Yamago, Shigeru, Xia, Jianlong, Jasti, Ramesh, Navarrete, Juan T. López, Taravillo, Mercedes, Baonza, Valentín G., Cas

Journal:

Angewandte Chemie International Edition

Year:

2014

Language:

english

File:

PDF, 586 KB

english, 2014

16

Energy bands in solids: bonding, energy levels and orbitals

Kertesz, Miklos

Journal:

International Reviews in Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 2.11 MB

english, 1985

17

Smooth energy-band interpolation with gradient utilization

Kertész, Miklós, Hughbanks, Timothy

Journal:

Physical Review B

Year:

1981

Language:

english

File:

PDF, 774 KB

english, 1981

18

Conjugated Polymers and Aromaticity

Kertesz, Miklos, Choi, Cheol Ho, Yang, Shujiang

Journal:

Chemical Reviews

Year:

2005

Language:

english

File:

PDF, 784 KB

english, 2005

19

Different orbitals for different spins for solids: Fully variational ab initio studies on hydrogen and carbon atomic chains, polyene, and poly(sulphur nitride)

Kertész, Miklós, Koller, Jože, Ažman, Andrej

Journal:

Physical Review B

Year:

1979

Language:

english

File:

PDF, 437 KB

english, 1979

20

Resource transport between ramets alters soil resource pattern: a simulation study on clonal growth

Gabriella Magyar, Miklós Kertész, Beáta Oborny

Journal:

Evolutionary Ecology

Year:

2004

Language:

english

File:

PDF, 536 KB

english, 2004

21

Simulations of large multi-atom vacancies in diamond

Laszlo, Istvan, Kertesz, Miklos, Slepetz, Brad, Gogotsi, Yury

Journal:

Diamond and Related Materials

Year:

2010

Language:

english

File:

PDF, 1.48 MB

english, 2010

22

Electronic structure of highly doped conducting polymers

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 547 KB

english, 1986

23

The [V−C═C−V] Divacancy and the Interstitial Defect in Diamond: Vibrational Properties

Hyde-Volpe, David, Slepetz, Brad, Kertesz, Miklos

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 2.51 MB

english, 2010

24

Dimensional changes as a function of charge injection for trans-polyacetylene: A density functional theory study

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

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 355 KB

english, 2002

25

Correction to “Charge Shift Bonding Concept in Radical π-Dimers”

Tian, Yong-Hui, Kertesz, Miklos

Journal:

Journal of Physical Chemistry A

Year:

2012

File:

PDF, 103 KB

2012

26

Theoretical 13 C NMR Spectra of IPR Isomers of Fullerenes C 60 , C 70 , C 72 , C 74 , C 76 , and C 78 Studied by Density Functional Theory

Sun, Guangyu, Kertesz, Miklos

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 85 KB

english, 2000

27

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

Year:

2003

Language:

english

File:

PDF, 72 KB

english, 2003

28

The Raman Fingerprint of Cyclic Conjugation: The case of the Stabilization of Cations and Dications in Cycloparaphenylenes

Peña Alvarez, Miriam, Ruiz Delgado, M. Carmen, Taravillo, Mercedes, Baonza, Valentín García, López Navarrete, Juan T., Evans, Paul, Jasti, Ramesh, Yamago, Shigeru, Kertesz, Miklos, Casado, Juan

Journal:

Chemical Science

Year:

2016

Language:

english

File:

PDF, 1013 KB

english, 2016

29

Changes in assembly rules along a stress gradient from open dry grasslands to wetlands

Lhotsky, Barbara, Kovács, Bence, Ónodi, Gábor, Csecserits, Anikó, Rédei, Tamás, Lengyel, Attila, Kertész, Miklós, Botta-Dukát, Zoltán, Brophy, Caroline

Journal:

Journal of Ecology

Year:

2016

Language:

english

File:

PDF, 255 KB

english, 2016

30

Change of geometry of polyacetylene upon charge transfer

Miklós Kertész, Ferenc Vonderviszt, Sándor Pekker

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 316 KB

english, 1982

31

Eine neue Methode zur Berechnung der Ladungsverteilung in Polymeren unter Berücksichtigung der Endeffekte

Géza Biczó, Miklós Kertész, Sándor Suhai

Journal:

Zeitschrift für Chemie

Year:

1975

Language:

german

File:

PDF, 257 KB

german, 1975

32

Rare primary extranodal lymphomas: diffuse large B-cell lymphomas of the genital tract

Péter Rajnics, Judit Demeter, Judit Csomor, László Krenács, László Pajor, Balázs Kollár, Zsuzsanna Kertész, Miklós Egyed

Journal:

Annals of Hematology

Year:

2009

Language:

english

File:

PDF, 125 KB

english, 2009

33

Bond length alternation and aromaticity in large annulenes

Choi, Cheol Ho, Kertesz, Miklos

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 454 KB

english, 1998

34

Crystal packing of TCNQ anion π-radicals governed by intermolecular covalent π–π bonding: DFT calculations and statistical analysis of crystal structures

Huang, Jingsong, Kingsbury, Stephanie, Kertesz, Miklos

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.71 MB

english, 2008

35

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

Year:

2003

Language:

english

File:

PDF, 238 KB

english, 2003

36

Energetics and geometry of conducting polymers from oligomers

Karpfen, Alfred, Kertesz, Miklos

Journal:

Journal of Physical Chemistry

Year:

1991

Language:

english

File:

PDF, 233 KB

english, 1991

37

Band structure calculation of extended poly(copper phthalocyanine) one-dimensional and two-dimensional polymers

Gomez-Romero, Pedro, Lee, Yong Sok, Kertesz, Miklos

Journal:

Inorganic Chemistry

Year:

1988

Language:

english

File:

PDF, 492 KB

english, 1988

38

The electronic structure of BC3

Lee, Yong-Sok, Kertesz, Miklos

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1988

Language:

english

File:

PDF, 133 KB

english, 1988

39

Covalent Bond Formation in Defected Nanopeapods Induces Local Deformations on Nanotube Walls

Yumura, Takashi, Kertesz, Miklos

Journal:

MRS Proceedings

Year:

2006

Language:

english

File:

PDF, 190 KB

english, 2006

40

High pressure chemistry and the mechanochemical polymerization of [5]-cyclo-p-phenylene

Qiu, Lili, Peña-Alvarez, Miriam, Taravillo, Mercedes, Evans, Paul J, Darzi, Evan, Jasti, Ramesh, Burrezo, P. Mayorga, López Navarrete, Juan T, Baonza, Valentín G., Casado, Juan, Kertesz, Miklos

Journal:

Chemistry - A European Journal

Year:

2017

Language:

english

File:

PDF, 2.86 MB

english, 2017

41

Bond Length Alternation and Energy Band Gap of Polyyne

Yang, Shujiang, Kertesz, Miklos

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 79 KB

english, 2006

42

Identification for IPR Isomers of Fullerene C 82 by Theoretical 13 C NMR Spectra Calculated by Density Functional Theory

Sun, Guangyu, Kertesz, Miklos

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 66 KB

english, 2001

43

Change of C–C Bond Length in Layers of Graphite Upon Charge Transfer

Kertesz, Miklos, Vonderviszt, Ferenc, Hoffman, Roald

Journal:

MRS Proceedings

Year:

1982

Language:

english

File:

PDF, 158 KB

english, 1982

44

Validation of density functionals for pancake-bonded π-dimers; dispersion is not enough

Mou, Zhongyu, Tian, Yonghui, Kertesz, Miklos

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 804 KB

english, 2017

45

Two-electron / multicentre - pancake bonding in π-stacked trimers in a salt of tetrachloroquinone anion

Molcanov, Kresimir, Mou, Zhongyu, Kertesz, Miklos, Kojic-Prodic, Biserka, Stalke, Dietmar, Demeshko, Serhiy, Santic, Ana, Stilinovic, Vladimir

Journal:

Chemistry - A European Journal

Year:

2018

Language:

english

File:

PDF, 1.31 MB

english, 2018

46

Limitations of current density functional theories for the description of partial π-bond breaking

Cheol Ho Choi, Miklos Kertesz, Alfred Karpfen

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 219 KB

english, 1997

47

Electronic Structures and Charge Transport Properties of the Organic Semiconductor Bis[1,2,5]thiadiazolo- p -quinobis(1,3-dithiole), BTQBT, and Its Derivatives

Huang, Jingsong, Kertesz, Miklos

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 170 KB

english, 2005

48

Roles of Conformational Restrictions of a Bismalonate in the Interactions with a Carbon Nanotube

Yumura, Takashi, Kertesz, Miklos

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 3.74 MB

english, 2009

49

Conformational Fingerprints in the IR and Raman Spectra of Oligoanilines: A Combined Theoretical and Experimental Study

Choi, Cheol Ho, Kertesz, Miklos, Boyer, M.-I., Cochet, M., Quillard, S., Louarn, G., Lefrant, S.

Journal:

Chemistry of Materials

Year:

1999

Language:

english

File:

PDF, 67 KB

english, 1999

50

Dependence of Young’s modulus of trans -polyacetylene upon charge transfer

Hong, Sung Y., Kertesz, Miklos

Journal:

Physical Review Letters

Year:

1990

Language:

english

File:

PDF, 592 KB

english, 1990

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