S. Suhai: search on Z-Library

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1

Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties

Elstner, M., Porezag, D., Jungnickel, G., Elsner, J., Haugk, M., Frauenheim, Th., Suhai, S., Seifert, G.

Journal:

Physical Review B

Year:

1998

Language:

english

File:

PDF, 239 KB

english, 1998

2

Reactions of DNA bases with the anti-cancer nitrogen mustard mechlorethamine: A quantum chemical study

P.K. Shukla, P.C. Mishra, S. Suhai

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 378 KB

english, 2007

3

The electronic structure of periodic protein models

S. Suhai, J. Ladik

Journal:

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

Year:

1972

Language:

english

File:

PDF, 437 KB

english, 1972

4

Hydrogen bonding in long chains of hydrogen fluoride and long chains and large clusters of water molecules

Alfred Karpfen, Janos Ladik, Peter Russegger, Peter Schuster, Sàndor Suhai

Journal:

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

Year:

1974

Language:

english

File:

PDF, 656 KB

english, 1974

5

Fragmentation pathways of protonated peptides

Béla Paizs, Sándor Suhai

Journal:

Mass Spectrometry Reviews

Year:

2005

Language:

english

File:

PDF, 454 KB

english, 2005

6

Origin of Cr in Alluvial and Aeolian Sediments and Ultramafic Rocks in Sultanate of Oman: Magnetic Fractionation and Sunlight Effect

Moraetis, D., Al-Suhai, A. S., Pracejus, B., Pyrgaki, K., Argyraki, A., Dermatas, D.

Journal:

Bulletin of Environmental Contamination and Toxicology

Year:

2020

File:

PDF, 936 KB

2020

7

The electronic structure of periodic protein models

Journal:

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

Year:

1974

Language:

english

File:

PDF, 369 KB

english, 1974

8

: Many-body perturbation theory versus density-functional methods

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 181 KB

english, 1995

9

Protection Against Radiation-Induced DNA Damage by Amino Acids: A DFT Study

Jena, N. R., Mishra, P. C., Suhai, S.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 2.17 MB

english, 2009

10

Electron correlation in extended systems: Fourth-order many-body perturbation theory and density-functional methods applied to an infinite chain of hydrogen atoms

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 531 KB

english, 1994

11

Quasiparticle energy-band structures in semiconducting polymers: Correlation effects on the band gap in polyacetylene

Journal:

Physical Review B

Year:

1983

Language:

english

File:

PDF, 471 KB

english, 1983

12

Electron correlation and dimerization in trans -polyacetylene: Many-body perturbation theory versus density-functional methods

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 616 KB

english, 1995

13

New directions in biological research on polarized light || On the trail of Vikings with polarized skylight: experimental study of the atmospheric optical prerequisites allowing polarimetric navigation by Viking seafarers

Gábor Horváth, András Barta, István Pomozi, Bence Suhai, Ramón Hegedüs, Susanne Åkesson, Benno Meyer-Rochow and Rüdiger Wehner

Journal:

Philosophical Transactions Biological Sciences

Year:

2011

Language:

english

File:

PDF, 2.32 MB

english, 2011

14

Fully automatic segmentation of right and left ventricle on short-axis cardiac MRI images

Budai, Adam, Suhai, Ferenc I., Csorba, Kristof, Toth, Attila, Szabo, Liliana, Vago, Hajnalka, Merkely, Bela

Journal:

Computerized Medical Imaging and Graphics

Year:

2020

File:

PDF, 1.27 MB

2020

15

CAFTAN: a tool for fast mapping, and quality assessment of cDNAs

Coral del Val, Vladimir Yurjevich Kuryshev, Karl-Heinz Glatting, Peter Ernst, Agnes Hotz-Wagenblatt, Annemarie Poustka, Sandor Suhai, Stefan Wiemann

Journal:

BMC Bioinformatics

Year:

2006

Language:

english

File:

PDF, 385 KB

english, 2006

16

Green's-function study of optical properties of polymers: Charge-transfer exciton spectra of polydiacetylenes

Journal:

Physical Review B

Year:

1984

Language:

english

File:

PDF, 1.69 MB

english, 1984

17

Electronic structure of highly conducting polymers

Suhai, S., Ladik, J.

Journal:

Molecular Crystals and Liquid Crystals

Year:

1982

Language:

english

File:

PDF, 661 KB

english, 1982

18

Formation of b2+ ions from protonated peptides: an ab initio study

Béla Paizs, György Lendvay, Károly Vékey, Sándor Suhai

Journal:

Rapid Communications in Mass Spectrometry

Year:

1999

Language:

english

File:

PDF, 189 KB

english, 1999

19

Ab initio selfconsistent field linear combination of atomic orbitals band structures of infinite TCNQ and TTF stacks

S. Suhai, J. Ladik

Journal:

Physics Letters A

Year:

1980

Language:

english

File:

PDF, 178 KB

english, 1980

20

A comparative study of MP2, B3LYP, RHF and SCC-DFTB force fields in predicting the vibrational spectra of N-acetyl-L-alanine-N'-methyl amide: VA and VCD spectra

H.G. Bohr, K.J. Jalkanen, M. Elstner, K. Frimand, S. Suhai

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 446 KB

english, 1999

21

Perturbation theoretical calculation of optical effects in polypeptides

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1985

Language:

english

File:

PDF, 837 KB

english, 1985

22

Structure and Vibrational Spectra of the Zwitterion l -Alanine in the Presence of Explicit Water Molecules: A Density Functional Analysis

Tajkhorshid, Emadeddin, Jalkanen, K. J., Suhai, Sándor

Journal:

Journal of Physical Chemistry B

Year:

1998

Language:

english

File:

PDF, 180 KB

english, 1998

23

Sequence-Scrambling Fragmentation Pathways of Protonated Peptides

Bleiholder, Christian, Osburn, Sandra, Williams, Todd D., Suhai, Sándor, Van Stipdonk, Michael, Harrison, Alex G., Paizs, Béla

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 1.02 MB

english, 2008

24

Kinetic and exchange energy related non-locally in Hartree–Fock theory of an inhomogeneous electron liquid

March, N. H., Jánosfalvi, Zs., Nagy, Á., Suhai, S.

Journal:

Physics and Chemistry of Liquids

Year:

2006

Language:

english

File:

PDF, 134 KB

english, 2006

25

Influence of the noninteracting density response function on the exchange-only kernel in time-dependent density-functional theory

March, N. H., Niehaus, T. A., Suhai, S.

Journal:

Physical Review A

Year:

2006

Language:

english

File:

PDF, 69 KB

english, 2006

26

Gigabytes liber Gigabasen - Informationsintegration in der Genomforschung

Ritter, Otto, Suhai, Sándor

Journal:

it - Information Technology

Year:

1996

Language:

german

File:

PDF, 1.41 MB

german, 1996

27

Computational Methods in Cancer Research The Hierarchy of Genomic Information

Journal:

Interdisciplinary Science Reviews

Year:

1989

Language:

english

File:

PDF, 893 KB

english, 1989

28

PostdissectiÃ³s aortaaneurysma endovascularis kezelÃ©se âcandy-plugâ technikÃ¡val perzisztÃ¡lÃ³ Ã¡llumen esetÃ©n

Hidi, LÃ¡szlÃ³, Csobay-NovÃ¡k, Csaba, JuhÃ¡sz, ViktÃ³ria, Suhai, Ferenc, Szeberin, ZoltÃ¡n, SÃ³tonyi, PÃ©ter

Journal:

Year:

2020

File:

PDF, 314 KB

2020

29

A priori Hartree—Fock crystal orbital calculations on polydiacetylene backbones

Journal:

Chemical Physics

Year:

1980

Language:

english

File:

PDF, 875 KB

english, 1980

30

Dielectric effects due to the environment on the structure and proton affinity of retinal Schiff base models

Emadeddin Tajkhorshid, Sándor Suhai

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 179 KB

english, 1999

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

Microhydration of the Guanine−Cytosine (GC) Base Pair in the Neutral and Anionic Radical States: A Density Functional Study

Kumar, Anil, Sevilla, Michael D., Suhai, Sándor

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 554 KB

english, 2008

33

Clinical Application of WHF-MOGE(S) Classification for Hypertrophic Cardiomyopathy

Agarwal, Anushree, Yousefzai, Rayan, Jan, M. Fuad, Cho, Chi, Shetabi, Kambiz, Bush, Michelle, Khandheria, Bijoy K., Paterick, Timothy E., Treiber, Shannon, Sra, Jasbir, Werner, Paul, Allaqaband, Suhai

Journal:

Year:

2015

Language:

english

File:

PDF, 1.99 MB

english, 2015

34

P3558Cardiac magnetic resonance characteristics of the transplanted heart: first results of the prospective Heart-TIming CMR substudy

Vago, H, Dohy, Z, Czimbalmos, C, Szabo, L, Horvath, V, Tarjanyi, Z, Szakal-Toth, Z, Parazs, N, Toth, A, Suhai, F, Edes, I, Becker, D, Sax, B, Merkely, B

Journal:

European Heart Journal

Year:

2019

File:

PDF, 110 KB

2019

35

Energetics and structure of glycine and alanine based model peptides: Approximate SCC-DFTB, AM1 and PM3 methods in comparison with DFT, HF and MP2 calculations

Marcus Elstner, Karl J. Jalkanen, Michaela Knapp-Mohammady, Thomas Frauenheim, Sándor Suhai

Journal:

Chemical Physics

Year:

2001

Language:

english

File:

PDF, 170 KB

english, 2001

36

Interaction of singlet oxygen and superoxide radical anion with guanine and formation of its mutagenic modification 8-oxoguanine

P. C. Mishra, A. K. Singh, S. Suhai

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 630 KB

english, 2005

37

DoOPSearch: a web-based tool for finding and analysing common conserved motifs in the promoter regions of different chordate and plant genes

Endre Sebestyén, Tibor Nagy, Sándor Suhai, Endre Barta

Journal:

BMC Bioinformatics

Year:

2009

Language:

english

File:

PDF, 1.12 MB

english, 2009

38

Intercalators. 1. Nature of Stacking Interactions between Intercalators (Ethidium, Daunomycin, Ellipticine, and 4‘,6-Diaminide-2-phenylindole) and DNA Base Pairs. Ab Initio Quantum Chemical, Density Functional Theory, and Empirical Potential Study

Řeha, David, Kabeláč, Martin, Ryjáček, Filip, Šponer, Jiří, Šponer, Judit E., Elstner, Marcus, Suhai, Sándor, Hobza, Pavel

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 427 KB

english, 2002

39

P363 Cardiac magnetic resonance characteristics of patients in the grey zone of hypertrophy

Czimbalmos, C, Csecs, I, Horvath, V, Deetjen, E, Nardocci, C, Dohy, Z, Szabo, L, Suhai, F I, Toth, A, Sydo, N, Kiss, O, Merkely, B, Vago, H

Journal:

European Heart Journal - Cardiovascular Imaging

Year:

2020

File:

PDF, 165 KB

2020

40

Electronic structure of biopolymers and possible mechanisms of chemical carcinogenesis

János Ladik, Sándor Suhai, Max Seel

Journal:

International Journal of Quantum Chemistry

Year:

1978

Language:

english

File:

PDF, 846 KB

english, 1978

41

Interaction between polymers: Dispersion energy of two infinite linear chains

F. Beleznay, S. Suhai, J. Ladik

Journal:

International Journal of Quantum Chemistry

Year:

1981

Language:

english

File:

PDF, 522 KB

english, 1981

42

Molecular databases on the internet

Martin Ebeling, Sandor Suhai

Journal:

Journal of Molecular Medicine

Year:

1997

Language:

english

File:

PDF, 119 KB

english, 1997

43

Glycine conformations: gradient-corrected DFT-studies

Martina Kieninger, Sandor Suhai, Oscar N Ventura

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 736 KB

english, 1998

44

Change in Electronic Structure of Polyenes Due to Interaction with Polyacenes and with Graphitic Strips

Howard, I. A., Klein, D. J., March, N. H., Van Alsenoy, C., Suhai, S., Jánosvalfi, Z., Nagy, Á.

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 170 KB

english, 2004

45

On diabatization and the topological D-matrix: Theory and numerical studies of the H?+?H2 system and the C2H2 molecule

Baer, M., Ve'rtesi, T., Hal�sz, G. J., Vib�k, �., Suhai, S.

Journal:

Faraday Discussions

Year:

2004

Language:

english

File:

PDF, 246 KB

english, 2004

46

Genomics and Proteomics ||

Year:

2002

Language:

english

File:

PDF, 12.50 MB

english, 2002

47

A BSSE-free SCF algorithm for intermolecular interactions. IV. Generalization for open-shell systems

G. Halász, Á. Vibók, S. Suhai

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 239 KB

english, 1998

48

Dynamics of breathers and kink-antikink collisions in trans-polyacetylene studied by an all-valence electron tight-binding Hamiltonian

Marcus Elstner, Giulia Galli, Sándor Suhai

Journal:

Physica D: Nonlinear Phenomena

Year:

1998

Language:

english

File:

PDF, 381 KB

english, 1998

49

L-Alanyl-L-alanine in the zwitterionic state: structures determined in the presence of explicit water molecules and with continuum models using density functional theory

M Knapp-Mohammady, K.J Jalkanen, F Nardi, R.C Wade, S Suhai

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 592 KB

english, 1999

50

Density functional studies on hydrogen-bonded complexes

Martina Kieninger, Sädor Suhai

Journal:

International Journal of Quantum Chemistry

Year:

1994

Language:

english

File:

PDF, 677 KB

english, 1994

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