Berces, Àttila: search on Z-Library

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1

An implementation of the coupled perturbed Kohn-Sham equations: perturbation due to nuclear displacements

Attila Bérces, Ross M. Dickson, Liangyou Fan, Heiko Jacobsen, David Swerhone, Tom Ziegler

Journal:

Computer Physics Communications

Year:

1997

Language:

english

File:

PDF, 935 KB

english, 1997

2

Influence of geometry on the emitting properties of 2,3-naphthalimides

Valat, Pierre, Wintgens, Veronique, Kossanyi, Jean, Biczok, Laszlo, Demeter, Attila, Berces, Tibor

Journal:

Journal of the American Chemical Society

Year:

1992

Language:

english

File:

PDF, 890 KB

english, 1992

3

[IEEE 2017 International Conference on Optical Network Design and Modeling (ONDM) - Budapest (2017.5.15-2017.5.18)] 2017 International Conference on Optical Network Design and Modeling (ONDM) - Harmonic components and dispersion of mobile network signals due to fiber-optical transmission

Hilt, Attila, Udvary, Eszter, Jaro, Gabor, Berceli, Tibor

Year:

2017

Language:

english

File:

PDF, 16.86 MB

english, 2017

4

Single-crystal EPR study of the thermally accessible 3Bu state of trans-(CNSSS)22+

Attila Berces, Gary D. Enright, Graham E. McLaurin, John R. Morton, Keith F. Preston, Jack Passmore, Dale J. Wood

Journal:

Magnetic Resonance in Chemistry

Year:

1999

Language:

english

File:

PDF, 105 KB

english, 1999

5

Density functional calculations of dioxygen binding in mono- and dinuclear copper complexes

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 225 KB

english, 1997

6

The Self-Assembly of Inorganic Mimics of Copper Oxidases and Oxygenases: A Theoretical Study

Journal:

Chemistry - A European Journal

Year:

1998

Language:

english

File:

PDF, 196 KB

english, 1998

7

Temperature-Dependent Behavior of the Dual Fluorescence of 2-(3-Fluorophenyl)-2,3-dihydro-1H-benzo[f]isoindole-1,3-dione

Pierre Valat, Véronique Wintgens, Jean Kossanyi, Làszlò Biczòk, Attila Demeter, Tibor Bérces

Journal:

Helvetica Chimica Acta

Year:

2001

Language:

english

File:

PDF, 190 KB

english, 2001

8

ChemInform Abstract: Quantitative Description of Six-Membered Ring Conformations Following the IUPAC Conformational Nomenclature.

Attila Berces, Dennis M. Whitfield, Tomoo Nukada

Journal:

Year:

2001

File:

PDF, 25 KB

2001

9

ChemInform Abstract: Synthesis, NMR, and Conformational Studies of Fucoidan Fragments. Part 3. Effect of Benzoyl Group at O-3 on Stereoselectivity of Glycosylation by 3-O- and 3,4-Di-O-benzoylated 2-O-Benzylfucosyl Bromides.

Alexey G. Gerbst, Nadezhda E. Ustuzhanina, Alexey A. Grachev, Elena A. Khatuntseva, Dmitry E. Tsvetkov, Dennis M. Whitfield, Attila Berces, Nikolay E. Nifantiev

Journal:

Year:

2002

File:

PDF, 31 KB

2002

10

The harmonic force field of benzene calculated by local density functional theory

Attila Bérces, Tom Ziegler

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 541 KB

english, 1993

11

Theoretical analysis of the triplet excited states of difluorosilylene. A density functional study

Attila Bérces, Marek Z. Zgierski

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 529 KB

english, 1996

12

The two-conformer hypothesis: 2,3,4,6-tetra-O-methyl-mannopyranosyl and -glucopyranosyl oxacarbenium ions

Tomoo Nukada, Attila Bérces, LiJie Wang, Marek Z. Zgierski, Dennis M. Whitfield

Journal:

Carbohydrate Research

Year:

2005

Language:

english

File:

PDF, 594 KB

english, 2005

13

Exciplex laser photolysis study of acetone with relevance to tropospheric chemistry

Rebeka Nádasdi, Gergely Kovács, István Szilágyi, Attila Demeter, Sándor Dóbé, Tibor Bérces, Ferenc Márta

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 375 KB

english, 2007

14

Can the stereochemical outcome of glycosylation reactions be controlled by the conformational preferences of the glycosyl donor?

Tomoo Nukada, Attila Bérces, Dennis M. Whitfield

Journal:

Carbohydrate Research

Year:

2002

Language:

english

File:

PDF, 323 KB

english, 2002

15

The structure of triniobium dinitride from zero electron kinetic energy photoelectron spectroscopy and density functional calculations

Dong-Sheng Yang, Marek Z. Zgierski, Attila Bérces, Peter A. Hackett, Ana Martinez, Dennis R. Salahub

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 528 KB

english, 1997

16

Analytic second derivatives of molecular energies: a density functional implementation

Heiko Jacobsen, Attila Bérces, David P. Swerhone, Tom Ziegler

Journal:

Computer Physics Communications

Year:

1997

Language:

english

File:

PDF, 694 KB

english, 1997

17

Study of the effect of simulated space environment on phage T7 and isolated T7 DNA thin films

Andrea Fekete, István Földvári, Márton Hegedüs, Károly Módos, Györgyi Rontó, Gáspár Kovács, Attila Bérces, Ágnes Péter

Journal:

Journal of Luminescence

Year:

2003

Language:

english

File:

PDF, 196 KB

english, 2003

18

Ferrocenic acid derivatives: towards rationalizing changes in the electronic and geometric structures

Lily Lin, Attila Berces, Heinz-Bernhard Kraatz

Journal:

Journal of Organometallic Chemistry

Year:

1998

Language:

english

File:

PDF, 504 KB

english, 1998

19

Quantitative description of six-membered ring conformations following the IUPAC conformational nomenclature

Attila Bérces, Dennis M. Whitfield, Tomoo Nukada

Journal:

Year:

2001

Language:

english

File:

PDF, 241 KB

english, 2001

20

The influence of aryl substitution on the photophysics of 1-aryl-fluorenones

Attila Demeter, Géza Timári, András Kotschy, Tibor Bérces

Journal:

Tetrahedron Letters

Year:

1997

Language:

english

File:

PDF, 263 KB

english, 1997

21

The structures and vibrational frequencies of small clusters of transition metal and main group elements A gradient corrected density functional study

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

1997

Language:

english

File:

PDF, 1.46 MB

english, 1997

22

Efficacy of Different UV-emitting Light Sources in the Induction of T-cell Apoptosis

Zoltán Novák, Attila Bérces, Györgyi Rontó, Éva Pállinger, Attila Dobozy, Lajos Kemény

Journal:

Photochemistry and Photobiology

Year:

2004

Language:

english

File:

PDF, 701 KB

english, 2004

23

Dual luminescence properties of differently benzo-fused N-phenylphenanthridinonesDedicated to Professor Jean Kossanyi on the occasion of his 70th birthday.

Demeter, Attila, Bérces, Tibor, Hinderberger, Julia, Timári, Géza

Journal:

Photochemical & Photobiological Sciences

Year:

2003

Language:

english

File:

PDF, 311 KB

english, 2003

24

Solar UV Irradiation Conditions on the Surface of Mars

Györgyi Rontó, Attila Bérces, Helmut Lammer, Charles S. Cockell, Gregorio J. Molina-Cuberos, Manish R. Patel, Franck Selsis

Journal:

Photochemistry and Photobiology

Year:

2003

Language:

english

File:

PDF, 117 KB

english, 2003

25

In Situ Biodosimetric Experiment for Space Applications

Gergely Goldschmidt, Éva Kovaliczky, József Szabó, Györgyi Rontó, Attila Bérces

Journal:

Origins of Life and Evolution of Biospheres

Year:

2012

Language:

english

File:

PDF, 216 KB

english, 2012

26

Rational design in genetic engineering: dream or reality? A priori predictions for thrombin and ribonuclease a mutants

Gábor Náray-Szabó, Jenö Nagy, Attila Bérces

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1989

Language:

english

File:

PDF, 673 KB

english, 1989

27

Dual Fluorescence and Intramolecular Charge Transfer with N -Phenylphenanthridinones

Demeter, Attila, Bérces, Tibor, Zachariasse, Klaas A.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 194 KB

english, 2001

28

S (+)-4-(1-Phenylethylamino)quinazolines as Inhibitors of Human Immunoglobuline E Synthesis: Potency Is Dictated by Stereochemistry and Atomic Point Charges at N-1

Berger, Michael, Albrecht, Bettina, Berces, Attila, Ettmayer, Peter, Neruda, Wolfgang, Woisetschläger, Maximilian

Journal:

Journal of Medicinal Chemistry

Year:

2001

Language:

english

File:

PDF, 100 KB

english, 2001

29

Density functional study of the harmonic force fields of cyclopentadienyl anion, cyclopentadienyl lithium, and ferrocene

Berces, Attila, Ziegler, Tom, Fan, Liangyou

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.47 MB

english, 1994

30

Harmonic Vibrational Frequencies and Force Constants of M(CO) 5 CX (M = Cr, Mo, W; X = O, S, Se). The Performance of Density Functional Theory and the Influence of Relativistic Effects

Bérces, Attila

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 255 KB

english, 1996

31

Conformational Pathways of Saturated Six-Membered Rings. A Static and Dynamical Density Functional Study

Ionescu, Andrei R., Bérces, Attila, Zgierski, Marek Z., Whitfield, Dennis M., Nukada, Tomoo

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 285 KB

english, 2005

32

The Conformational Origin of the Barrier to the Formation of Neighboring Group Assistance in Glycosylation Reactions: A Dynamical Density Functional Theory Study

Bérces, Attila, Enright, Gary, Nukada, Tomoo, Whitfield, Dennis M.

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 78 KB

english, 2001

33

Exploring the Mechanism of Neighboring Group Assisted Glycosylation Reactions

Nukada, Tomoo, Berces, Attila, Zgierski, Marek Z., Whitfield, Dennis M.

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 211 KB

english, 1998

34

76-P

Major, Endre, Rigo, Krisztina, Berces, Attila, Hague, Tim, Juhos, Szilveszter

Journal:

Human Immunology

Year:

2013

Language:

english

File:

PDF, 29 KB

english, 2013

35

131-P

Major, Endre, Rigo, Krisztina, Berces, Attila, Juhos, Szilveszter, Gourraud, Pierre-Antoine, Hague, Timothy James

Journal:

Human Immunology

Year:

2013

Language:

english

File:

PDF, 28 KB

english, 2013

36

153-P

A. Pena, J. Ryan, Berces, Attila, Kent, Heather, Major, Endre, Hague, Tim, Saidman, Susan L.

Journal:

Human Immunology

Year:

2013

Language:

english

File:

PDF, 30 KB

english, 2013

37

48-OR

Duke, Jamie L., Sasson, Ariella, Mackiewicz, Kate, Lind, Curt, Major, Endre, Hague, Tim, Berces, Attila, Monos, Dimitri

Journal:

Human Immunology

Year:

2013

Language:

english

File:

PDF, 27 KB

english, 2013

38

Solvation of Cu 2+ in Water and Ammonia. Insight from Static and Dynamical Density Functional Theory

Bérces, Attila, Nukada, Tomoo, Margl, Peter, Ziegler, Tom

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 173 KB

english, 1999

39

Bond Energies and Bonding Interactions in Fe(CO) 5- n (N 2 ) n ( n = 0−5) and Cr(CO) 6- n (N 2 ) n ( n = 0−6) Complexes: Density Functional Theory Calculations and Comparisons to Experimental Data

Cedeño, David L., Weitz, Eric, Bérces, Attila

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 255 KB

english, 2001

40

Electronic Structures of Transition Metal Phosphorus Monoxide Complexes

Bérces, Attila, Koentjoro, Olivia, Sterenberg, Brian T., Yamamoto, John H., Tse, John, Carty, Arthur J.

Journal:

Organometallics

Year:

2000

Language:

english

File:

PDF, 126 KB

english, 2000

41

Bonding Interactions in Olefin (C 2 X 4 , X = H, F, Cl, Br, I, CN) Iron Tetracarbonyl Complexes: Role of the Deformation Energy in Bonding and Reactivity

Cedeño, David L., Weitz, Eric, Bérces, Attila

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 212 KB

english, 2001

42

Hydrogen Bond Formation between 4-(Dimethylamino)pyridine and Aliphatic Alcohols

Demeter, Attila, Mile, Viktória, Bérces, Tibor

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 243 KB

english, 2007

43

[IEEE 2008 13th International Telecommunications Network Strategy and Planning Symposium (NETWORKS) - Budapest, Hungary (2008.9.28-2008.10.2)] Networks 2008 - The 13th International Telecommunications Network Strategy and Planning Symposium - Dispersion elimination and harmonic behavior in optical networks

Udvary, Eszter, Berceli, Tibor, Hilt, Attila

Year:

2008

Language:

english

File:

PDF, 5.74 MB

english, 2008

44

OR04

Lind, Curt, Ferriola, Deborah, Huynh, Anh, Duke, Jamie, Papazoglou, Anna, Askar, Medhat, Berces, Attila, Christiansen, Mette, Dong, Wei, Gandhi, Manish, Hague, Tim, Horvath, Gyorgy, Hsu, Susan, Johnso

Journal:

Human Immunology

Year:

2014

Language:

english

File:

PDF, 35 KB

english, 2014

45

Above-Threshold Effects in the Photodissociation and Photoionization of Iodobenzene †

Unny, Sujatha, Du, Yan, Zhu, Langchi, Truhins, Kaspars, Gordon, Robert J., Sugita, Akihiro, Kawasaki, Masahiro, Matsumi, Y., Delmdahl, Ralph, Parker, David H., Berces, Attila

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 284 KB

english, 2001

46

Ligand Effects in the Models and Mimics of Oxyhemocyanin and Oxytyrosinase. A Density Functional Study of Reversible Dioxygen Binding and Reversible O−O Bond Cleavage

Bérces, Attila

Journal:

Inorganic Chemistry

Year:

1997

Language:

english

File:

PDF, 169 KB

english, 1997

47

Acyl Transfer as a Problematic Side Reaction in Polymer-Supported Oligosaccharide Synthesis

Nukada, Tomoo, Berces, Attila, Whitfield, Dennis M.

Journal:

Journal of Organic Chemistry

Year:

1999

Language:

english

File:

PDF, 474 KB

english, 1999

48

P090

Juhos, Szilveszter, Horváth, György, Bérces, Attila, Lind, Curt, Monos, Dmitri, Tayeb, Mike, Iwasiow, Rafal

Journal:

Human Immunology

Year:

2014

Language:

english

File:

PDF, 32 KB

english, 2014

49

Reactions between M n (M = Nb, Mo and n = 1, 2, 3, and 4) and N 2 . A Density Functional Study

Bérces, Attila, Mitchell, Steven A., Zgierski, Marek Z.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 178 KB

english, 1998

50

The Electronic and Magnetic Properties of SSSNCCNSSS(M) 2 (M = AsF 6− ,SbF 6 , Sb 2 F 11− ) and Evidence for the Isostructural Monocation Monoradical (CNSSS) +−

Berces, Àttila, Enright, Gary D., Morton, John R., Passmore, Jack, Preston, Keith F., Thompson, Robert C., Wood, Dale J.

Journal:

Phosphorus Sulfur and Silicon and the Related Elements

Year:

1997

Language:

english

File:

PDF, 412 KB

english, 1997