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1

Ab initio calculations on sulfur-containing compounds. II. One-electron properties of H2S

Raymond A. Poirier, Raymond Daudel, Roy E. Kari, Imre G. Csizmadia

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 524 KB

english, 1984

2

Synthesis and spectroscopic characterization of novel GFP chromophore analogues based on aminoimidazolone derivatives

Jancsó, Attila, Kovács, Ervin, Cseri, Levente, Rózsa, Balázs, Galbács, Gábor, Csizmadia, Imre G., Mucsi, Zoltán

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2019

Language:

english

File:

PDF, 1.70 MB

english, 2019

3

Automotive Safety in the Development Pipeline of Highly Automated Vehicles: Rethinking Traditional Automotive Product-Creation Methods

Takacs, Arpad, Drexler, Daniel Andras, Galambos, Peter, Rudas, Imre J., Haidegger, Tamas, Csizmadia, Tamas

Journal:

IEEE Systems, Man, and Cybernetics Magazine

Year:

2020

File:

PDF, 1.35 MB

2020

4

The benefits of a pre-computed amino acid structure database in quantum chemical geometry optimizations of β-turns of peptides

Attila Borics, Gregory A Chass, Imre G Csizmadia, Richard F Murphy, Sándor Lovas

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 86 KB

english, 2003

5

An exploratory ab initio conformational analysis of selected fragments of nicotinamide adenine dinucleotide (NAD+). Part I: 5-deoxyribose nicotinamide N-glycoside

Suzanne K Lau, Gregory A Chass, Sándor Lovas, Botond Penke, Imre G Csizmadia

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 549 KB

english, 2003

6

An exploratory ab initio conformational analysis of selected fragments of nicotinamide adenine dinucleotide (NAD+). Part II: adenosine

Suzanne K Lau, Gregory A Chass, Botond Penke, Imre G Csizmadia

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 235 KB

english, 2003

7

A Quantitative Scale for the Degree of Aromaticity and Antiaromaticity: A Comparison of Theoretical and Experimental Enthalpies of Hydrogenation

Mucsi, Zoltán, Viskolcz, Béla, Csizmadia, Imre G.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 256 KB

english, 2007

8

Use of a modified Romberg formalism for the extrapolation of molecular properties from oligomers to polymers. Polyalanine diamide in its (.gamma.L)n or (C7)n conformation

Liegener, Christoph Maria, Endredi, Gabor, McAllister, Michael A., Perczel, Andras, Ladik, Janos, Csizmadia, Imre G.

Journal:

Journal of the American Chemical Society

Year:

1993

Language:

english

File:

PDF, 335 KB

english, 1993

9

Allylic hydrogen abstraction II. H-abstraction from 1,4 type polyalkenes as a model for free radical trapping by polyunsaturated fatty acids (PUFAs)

Szori, Milan, Abou-Abdo, Tamas, Fittschen, Christa, Csizmadia, Imre G., Viskolcz, Bela

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 784 KB

english, 2007

10

A Prelude to Building Mathematical Models for Polypeptide Folding: Analysis on the Conformational Potential Energy Hypersurface Cross-Sections of N-Acetyl-Glycyl-Glycine-N'-Methylamide

Villar, John Justine S., Negm, Logine, Rágyanszki, Anita, Setiadi, David H., Valdez, Adrian Roy L, Viskolcz, Béla, Csizmadia, G. Imre

Journal:

Canadian Journal of Chemistry

Year:

2018

Language:

english

File:

PDF, 27.51 MB

english, 2018

11

Peptide models XVI. The identification of selected HCO?L?SER?NH2 conformers via a systematic grid search usingab initio potential energy surfaces

Perczel, Andr�s, Farkas, �d�n, Csizmadia, Imre G.

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 1.12 MB

english, 1996

12

Ab initio and density functional study of the conformational space of1C4 ?-L-fucose

Csonka, Gabor I., �li�s, Krisztina, Csizmadia, Imre G.

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 213 KB

english, 1997

13

Peptide models. XIV. Ab initio study on the role of side-chain backbone interaction stabilizing the building unit of right- and left-handed helices in peptides and proteins

András Perczel, Ödön Farkas, John F. Marcoccia, Imre G. Csizmadia

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 407 KB

english, 1997

14

Reaction competition in the fragmentation of protonated dipeptides

Alex. G. Harrison, Imre G. Csizmadia, Ting-Hua Tang, Ya-Ping Tu

Journal:

Journal of Mass Spectrometry

Year:

2000

Language:

english

File:

PDF, 104 KB

english, 2000

15

Ab Initio Conformational Space Study of Model Compounds of O-Glycosides of Serine Diamide

Gábor I. Csonka, Gábor A. Schubert, András Perczel, Carlos P. Sosa, Imre G. Csizmadia

Journal:

Chemistry - A European Journal

Year:

2002

Language:

english

File:

PDF, 303 KB

english, 2002

16

Relative Stability of Major Types of β-Turns as a Function of Amino Acid Composition: A Study Based on Ab Initio Energetic and Natural Abundance Data

András Perczel, Imre Jákli, Michael A. McAllister, Imre G. Csizmadia

Journal:

Chemistry - A European Journal

Year:

2003

Language:

english

File:

PDF, 263 KB

english, 2003

17

Intrinsically Stable Secondary Structure Elements of Proteins: A Comprehensive Study of Folding Units of Proteins by Computation and by Analysis of Data Determined by X-ray Crystallography

András Perczel, Imre Jákli, Imre G. Csizmadia

Journal:

Chemistry - A European Journal

Year:

2003

Language:

english

File:

PDF, 240 KB

english, 2003

18

Density Functional Theory Investigation of the Alkyl–Alkyl Negishi Cross-Coupling Reaction Catalyzed by N-Heterocyclic Carbene (NHC)–Pd Complexes

Gregory A. Chass, Christopher J. O'Brien, Niloufar Hadei, Eric Assen B. Kantchev, Wei-Hua Mu, De-Cai Fang, Alan C. Hopkinson, Imre G. Csizmadia, Michael G. Organ

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 1.24 MB

english, 2009

19

ChemInform Abstract: Ab initio Conformational Analysis of Protein Subunits: A Case Study of the Serine Diamide Model

Andras Perczel, Imre G. Csizmadia

Journal:

Year:

2000

File:

PDF, 24 KB

2000

20

ChemInform Abstract: Aromaticity and Antiaromaticity of 4-Membered P-Heterocycles

Zoltan Mucsi, Imre G. Csizmadia

Journal:

Year:

2009

File:

PDF, 11 KB

2009

21

Can Four-Membered Heterophosphete Structures Exist? The Contribution of Phosphorus d Orbitals to Antiaromaticity

Zoltán Mucsi, Tamás Kötvélyesi, Béla Viskolcz, Imre G. Csizmadia, Tibor Novák, György Keglevich

Journal:

European Journal of Organic Chemistry

Year:

2007

Language:

english

File:

PDF, 235 KB

english, 2007

22

Peptide models. XXXIII. Extrapolation of low-level Hartree–Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory

András Perczel, Ödön Farkas, Imre Jákli, Igor A. Topol, Imre G. Csizmadia

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 957 KB

english, 2003

23

On the flexibility of β-peptides

Tamás Beke, Imre G. Csizmadia, András Perczel

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 764 KB

english, 2004

24

Stability issues of covalently and noncovalently bonded peptide subunits

András Perczel, Péter Hudáky, Anna K. Füzéry, Imre G. Csizmadia

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 269 KB

english, 2004

25

Structure and stability of β-pleated sheets

András Perczel, Zoltán Gáspári, Imre G. Csizmadia

Journal:

Journal of Computational Chemistry

Year:

2005

Language:

english

File:

PDF, 501 KB

english, 2005

26

An Ab initio study on the conformations of protonated, neutral, and deprotonated amidine

Theresa Julia Zielinski, Michael R. Peterson, Imre G. Csizmadia, Robert Rein

Journal:

Journal of Computational Chemistry

Year:

1982

Language:

english

File:

PDF, 422 KB

english, 1982

27

Conformational study of protonated, neutral, and deprotonated formamide

Theresa Julia Zielinski, Raymond Alcide Poirier, Michael Roy Peterson, Imre G. Csizmadia

Journal:

Journal of Computational Chemistry

Year:

1982

Language:

english

File:

PDF, 709 KB

english, 1982

28

A water-mediated tautomerism mechanism in formamide and amidine. An ab initio study

Theresa Julia Zielinski, Raymond Alcide Poirier, Michael Roy Peterson, Imre G. Csizmadia

Journal:

Journal of Computational Chemistry

Year:

1983

Language:

english

File:

PDF, 714 KB

english, 1983

29

Binding properties of carbohydrate sulfamates based on ab initio 6–31 + G∗∗ calculations on N-methyl and N-ethyl sulfamate anions

Dennis M. Whitfield, Doriano Lamba, Ting-Hua Tang, Imre G. Csizmadia

Journal:

Carbohydrate Research

Year:

1996

Language:

english

File:

PDF, 1.10 MB

english, 1996

30

A note on scf mo ci calculations on the ground and low-lying excited states of rectangular H4: an excimer model system

John D. Goddard, Imre G. Csizmadia

Journal:

Chemical Physics Letters

Year:

1976

Language:

english

File:

PDF, 442 KB

english, 1976

31

Calculation of sulphur L(S2p)-MM Auger energies of H2S

Richard H.A. Eade, Michael A. Robb, Giannoula Theodorakopoulos, Imre Csizmadia

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 293 KB

english, 1977

32

Relaxation in torsional motion of triplet oxirane

Otto P. Strausz, Ratnakar K. Gosavi, George R. Demaré, Imre G. Csizmadia

Journal:

Chemical Physics Letters

Year:

1979

Language:

english

File:

PDF, 151 KB

english, 1979

33

Ab initio configuration interaction calculations on the hydrogen molecular excimer, H*4

John D. Goddard, Imre G. Csizmadia

Journal:

Chemical Physics Letters

Year:

1979

Language:

english

File:

PDF, 771 KB

english, 1979

34

Structure and bonding of H3CCuH

Raymond A. Poirier, Geoffrey A. Ozin, Douglas F. McIntosh, Imre G. Csizmadia, Raymond Daudel

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 574 KB

english, 1983

35

Ab initio study of the energy hypersurface of uneven sulfuranes: Dissociation of HCl from Cl-SH (OH)-Cl

Gábor I. Csonka, Michel Loos, Árpád Kucsman, Imre G. Csizmadia

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 461 KB

english, 1994

36

Density functional conformational analysis of 1,2-ethanediol

Gábor I. Csonka, Imre G. Csizmadia

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 558 KB

english, 1995

37

Ab initio and DFT investigations of intramolecular hydrogen bonding in 1,2-ethanediol

Gábor I. Csonka, Nguyen Anh, János Ángyán, Imre G. Csizmadia

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 401 KB

english, 1995

38

Relative stability of 1C4 and 4C1 chair forms of β-d-glucose: a density functional study

Gábor I. Csonka, Krisztina Éliás, Imre G. Csizmadia

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 756 KB

english, 1996

39

A molecular orbital study of the stereochemistry and conformational stability of tetra-coordinate selenium in the selenocyclopropane system

Dennis G. Garratt, George H. Schmid, Imre G. Csizmadia

Journal:

Journal of Molecular Structure

Year:

1974

Language:

english

File:

PDF, 423 KB

english, 1974

40

Stabilities of isomeric bromonium ions C2H4Br+

Raymond A. Poirier, George R. Demaré, Keith Yates, Imre G. Csizmadia

Journal:

Journal of Molecular Structure

Year:

1983

Language:

english

File:

PDF, 251 KB

english, 1983

41

Topological properties of conformational potential energy surfaces

Michael R. Peterson, Imre G. Csizmadia, Richard W. Sharpe

Journal:

Journal of Molecular Structure

Year:

1983

Language:

english

File:

PDF, 634 KB

english, 1983

42

Theoretical studies of C2H4O isomers: Part 1. Acetaldehyde ground, triplet n → π∗ and triplet n → 3s electronic states

Michael R. Peterson, George R. de Mare, Imre G. Csizmadia, Otto P. Strausz

Journal:

Journal of Molecular Structure

Year:

1983

Language:

english

File:

PDF, 1.04 MB

english, 1983

43

Critical points of the conformational potential energy surface of carbonic acid: H2CO3

Rudolf Janoschek, Imre G. Csizmadia

Journal:

Journal of Molecular Structure

Year:

1993

Language:

english

File:

PDF, 618 KB

english, 1993

44

Why are B ions stable species in peptide spectra?

Talat Yalcin, Charlotte Khouw, Imre G. Csizmadia, Michael R. Peterson, Alex G. Harrison

Journal:

Journal of the American Society for Mass Spectrometry

Year:

1995

Language:

english

File:

PDF, 837 KB

english, 1995

45

The structure and fragmentation of Bn(n≥3) ions in peptide spectra

Talat Yalcin, Imre G. Csizmadia, Michael R. Peterson, Alex G. Harrison

Journal:

Journal of the American Society for Mass Spectrometry

Year:

1996

Language:

english

File:

PDF, 852 KB

english, 1996

46

Synthesis and conformational analysis of His-Phe-Arg-Trp-NH2 and analogues with antifungal properties

Marcelo F. Masman, Ana M. Rodrı´guez, Laura Svetaz, Susana A. Zacchino, Csaba Somlai, Imre G. Csizmadia, Botond Penke, Ricardo D. Enriz

Journal:

Bioorganic & Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 1.81 MB

english, 2006

47

Putative mechanisms of peroxybicarbonate formation

Alice Maetzke, Svend J. Knak Jensen, Imre G. Csizmadia

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 288 KB

english, 2007

48

Information accumulation in helical oligopeptide structures

Bela Viskolcz, Szilard N. Fejer, Svend J. Knak Jensen, Andras Perczel, Imre G. Csizmadia

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 257 KB

english, 2007

49

Polymerization dependence of the entropy of homo-oligomer peptides

Bela Viskolcz, Imre G. Csizmadia, Svend J. Knak Jensen, Andras Perczel

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 441 KB

english, 2010

50

The influence of exocyclic phosphorous substituents on the intrinsic stability of four-membered heterophosphetes: a theoretical study

Zoltán Mucsi, István Hermecz, Béla Viskolcz, Imre G. Csizmadia, György Keglevich

Journal:

Year:

2008

Language:

english

File:

PDF, 1.21 MB

english, 2008

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