Ph.D. Béla Viskolcz

 

Education

1991: M.Sc. University of Szeged
1996: PhD. Dr.rer.nat. University of Halle-Wittenberg Germany
1998: CSc. Hungarian Academy of Sciences, Budapest

Academic positions

1996 – 1998: Assistant Professor, Chemistry, Universty of Szeged
1998 – 2001: Associate Professor, Chemistry, Universty of Szeged
2002 – : College Professor, Chemistry, Universty of Szeged

Visiting positions

1993 – 1996: Visiting Scientist, Theoretical Kinetics Halle, Germany
(Sponsored by Deutsche Forschungsgemeinschaft)
1998: Visiting Scientist, Physical Chemistry Karlsruhe, Germany
(Hungarian Gov.)
1999 – 2000: Visiting Scientist, Physical Chemistry Karlsruhe, Germany
(Alexander Humboldt Foundation)
2002 (1 month): Visiting Scientist, Physical Chemistry Karlsruhe, Germany
2002 (1 month): Visiting Professor, Physical Chemistry Karlsruhe, Germany
2004 (3 month): Visiting Professor, University of Lille Lille, France 2004

Teaching activity

1999 – 2008: Biochemistry - lecturer
1996 – : Physical Chemistry - practices, seminars, lecturer
2009 – : Basic chemistry II. - lecturer
2007 – : Computer Science - practice and lectures
2004 – : Theoretical Doctoral School - one of the founder
2005 – : Summer School - organizer, lecturer

Awards and Fellowships

  • 1999 – 2008: Magyary Zoltán Fellowship
  • 1999 – 2000: Humboldt Felloship
  • 2001 – 2004: Bolyai Fellowship
  • 2004:               Pro Uventute Medal
  • 2007 – 2010: Bolyai Fellowship

Students supervised

  • 2007: Jacqueline Law PhD
  • 2009: Milán Szőri PhD
  • 2012: Michael Owen PhD
  • 2013: Béla Fiser PhD (proposed 2013)
  • 2014: Eszter Faragó PhD (proposed 2014)

Research Collaborations

  • Prof. Dr. Imre G. Csizmadia Canada University of Toronto
  • Prof. Dr. Horst Hipplera Germany University of Karlsruhe
  • Prof. Dr. Matthias Olzman Germany University of Karlsruhe
  • Prof. Karl-Henz Hoyermann Germany University of Göttingen
  • Prof. Dr. Hans-Joachaim Werner Germany University Stuttgart
  • Dr. Christa Fittschen France University of Lille
  • Prof. Dr. Andrea Bottoni Italy University of Bologna
  • Prof. Dr. Svend Jensen Italy University of Aarhus
  • Dr. Gregory Chass UK Unversity of London
  • Prof. Dr. Csanadi János Serbien University of Novi Sad
  • Prof. Dr. Agneta Balint Roman University of West Timisoara
  • Prof. De C. Fang China University of Bejing
  • Prof. Dr. Lendvay György Hungary Chemical Research Center of the Hungarian Academy of Sciences

Recent grant application

  • HURO/0901/037/2.2.2
    Complex molecular database for environment protection
    Duration: 2011.02.01.-2012.07.31.
    The project's total: 391 946 EUR (project leader)
  • HUSRB/1002/214/193
    Bile Acid Nanosystems as Molecule Carriers in Pharmaceutical Applications
    Duration: 2012.02.01.-2013.10.31.
    The project's total: 362 146 EUR (2011-2013) (project leader)
  • TÁMOP-4.2.1/B-09/1/KONV-2010-0005
    Creating the Centre of Excellence at the University of Szeged
    Duration: 2010-07-01 - 2012-09-30
    The project's total: 10 367 800 EUR (participant)
  • TÁMOP-4.2.2.A-11/1/KONV-2012-0047
    New functional material and their biological and environmental answers
    Duration: 2012-11-01 - 2014-10-31
    The project's total: 1 699 830 EUR (subproject leader)
  • TÁMOP-4.2.2.C-11/1/KONV-2012-0010
    Supercomputer as a national virtual labortory
    Duration: 2012-11-01 - 2014-10-31
    The project's total: 2 664 140 EUR (project leader)

Special activity

  • 2004 – 2009: Organization of Annual Student Fair
  • 2005 – : Organization of Summer School
  • 2011 – : Organization of Summer School (1.0 credit at University of Toronto
  • 2008 Founding the Theoretical Chemistry Doctoral School

List of Publictaions

 

Number of publications: 82
Number of citations: 865
Number of independent citations: 636
Cumulative impact factor: 160.591
Expected amount of IF-s: 14.995
Total IF: 175.586

 

2012

1.

Owen MC, Toth L, Jojart B, Komaromi I, Csizmadia IG, Viskolcz B

The Effect of Newly-Developed OPLS-AA Alanyl Radical Parameters on Peptide Secondary Structure

JOURNAL OF CHEMICAL THEORY AND COMPUTATION &: p. &. (2012)

IF: 5.215*

Link(s): DOI /

 

Journal Article/Article/Scientific

2.

Owen MC, Szori M, Jojart B, Viskolcz B, Csizmadia IG

Conformational and thermodynamic analysis of the COXIB scaffold using quantum chemical calculations

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 112:(3) pp. 922-936. (2012)

IF: 1.357*

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

3.

Owen MC, Szori M, Csizmadia IG, Viskolcz B

Conformation-Dependent center dot OH/H2O2 Hydrogen Abstraction Reaction Cycles of Gly and Ala Residues: A Comparative Theoretical Study

JOURNAL OF PHYSICAL CHEMISTRY B - CONDENSED MATTER MATERIALS SURFACES INTERFACES AND BIOPHYSICAL 116:(3) pp. 1143-1154. (2012)

IF: 3.696*

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 1 Dependent (self-) citations: 1 All citations: 2

4.

Jojart B, Balint AM, Balint S, Viskolcz B

Homology Modeling and Validation of the Human M1 Muscarinic Acetylcholine Receptor

MOLECULAR INFORMATICS 31:(9) pp. 635-638. (2012)

IF: 2.390*

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

5.

Galant NJ, Lee DR, Fiser B, Wang H, Dawson SSH, Ding VZY, Setiadi DH, Mucsi Z, Viskolcz B, Jensen SJK, Csizmadia IG

Disulfidicity: A scale to characterize the disulfide bond strength via the hydrogenation thermodynamics

CHEMICAL PHYSICS LETTERS 539: pp. 11-14. (2012)

IF: 2.337*

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

2011

6.

Szori Milan, Jojart Balazs, Izsak Robert, Szori Kornel, Csizmadia Imre G, Viskolcz Bela

Chemical evolution of biomolecule building blocks. Can thermodynamics explain the accumulation of glycine in the prebiotic ocean?

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13:(16) pp. 7449-7458. (2011)

IF: 3.573

Link(s): WoS / DOI / Full document at the publisher

 

Journal Article/Article/Scientific

7.

Owen MC, Viskolcz B, Csizmadia IG

Quantum chemical analysis of the unfolding of a penta-glycyl 3(10)-helix initiated by HO(center dot), HO(2)(center dot), and O(2)(-center dot)

JOURNAL OF CHEMICAL PHYSICS 135:(3) Paper 035101. (2011)

IF: 3.333

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Dependent (self-) citations: 2 All citations: 2

8.

Owen MC, Viskolcz B, Csizmadia IG

Quantum Chemical Analysis of the Unfolding of a Penta-alanyl 3(10)-Helix Initiated by HO(center dot), HO(2)(center dot) and O(2)(-center dot)

JOURNAL OF PHYSICAL CHEMISTRY B - CONDENSED MATTER MATERIALS SURFACES INTERFACES AND BIOPHYSICAL 115:(24) pp. 8014-8023. (2011)

IF: 3.696

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 1 Dependent (self-) citations: 2 All citations: 3

9.

Lee DR, Galant NJ, Lee DM, Dawson SSH, Ding VZY, Setiadi DH, Viskolcz B, Csizmadia IG

Theoretical investigation of the conformational intricacies and thermodynamic functions of noradrenaline

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE 89:(8) pp. 1010-1020. (2011)

IF: 1.242

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

10.

Jojart Balazs, Szori Milan, Izsak Robert, Marsi Istvan, Aranka Laszlo, Csizmadia Imre G, Viskolcz Bela

The effect of a Pro(28)Thr point mutation on the local structure and stability of human galactokinase enzyme-a theoretical study

JOURNAL OF MOLECULAR MODELING 17:(10) pp. 2639-2649. (2011)

IF: 1.797

Link(s): WoS /Scopus / DOI / Full document at the publisher

 

Journal Article/Article/Scientific

Independent citations: 2 All citations: 2

11.

Jain C, Morajkar P, Schoemaecker C, Viskolcz B, Fittschen C

Measurement of Absolute Absorption Cross Sections for Nitrous Acid (HONO) in the Near-Infrared Region by the Continuous Wave Cavity Ring-Down Spectroscopy (cw-CRDS) Technique Coupled to Laser Photolysis

JOURNAL OF PHYSICAL CHEMISTRY A 115:(39) pp. 10720-10728. (2011)

IF: 2.946

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Dependent (self-) citations: 2 All citations: 2

12.

Fiser Bela, Szori Milan, Jojart Balazs, Izsak Robert, Csizmadia Imre G, Viskolcz Bela

Antioxidant Potential of Glutathione: A Theoretical Study

JOURNAL OF PHYSICAL CHEMISTRY B - CONDENSED MATTER MATERIALS SURFACES INTERFACES AND BIOPHYSICAL 115:(38) pp. 11269-11277. (2011)

IF: 3.696

Link(s): WoS / DOI / Full document at the publisher

 

Journal Article/Article/Scientific

Independent citations: 2 Dependent (self-) citations: 2 All citations: 4

13.

Ding Vanna Z Y, Dawson Sean S H, Lau Lewis W Y, Lee DongJin R, Galant Natalie J, Setiadi David H, Jojart Balazs, Szori Milan, Mucsi Zoltan, Viskolcz Bela, Jensen Svend J Knak, Csizmadia Imre G

A computational study of glutathione and its fragments: N-acetylcisteinylglycine and gamma-glutamylmethylamide

CHEMICAL PHYSICS LETTERS 507:(1-3) pp. 168-173. (2011)

IF: 2.337

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 4 Dependent (self-) citations: 2 All citations: 6

14.

Bentz T, Szori M, Viskolcz B, Olzmann M

Pyrolysis of Ethyl Iodide as Hydrogen Atom Source: Kinetics and Mechanism in the Temperature Range 950-1200K

ZEITSCHRIFT FÜR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY AND CHEMICAL PHYSICS 225:(9-10) pp. 1117-1128. (2011)

IF: 1.568

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Dependent (self-) citations: 1 All citations: 1

2010

15.

Viskolcz B, Csizmadia IG, Jensen SJK, Perczel A

Polymerization dependence of the entropy of homo-oligomer peptides

CHEMICAL PHYSICS LETTERS 501:(1-3) pp. 30-32. (2010)

IF: 2.280

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Dependent (self-) citations: 3 All citations: 3

16.

Jojart B, Kiss R, Viskolcz B, Kolossvary I, Keseru GM

Molecular Dynamics Simulation at High Sodium Chloride Concentration: Toward the Inactive Conformation of the Human Adenosine A2A Receptor

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1:(6) pp. 1008-1013. (2010)

 

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 5 All citations: 5

2009

17.

Wang H, Csizmadia IG, Marsi I, Chasse GA, Fang DC, Viskolcz B

Network of hydrogen bonds in Pro-Ala-Pro and Pro-Phe-Pro diamides: A first principles study of Ala -> Phe point mutation in proline environment

JOURNAL OF CHEMICAL PHYSICS 131:(3) Paper 035105. (2009)

IF: 3.093

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 2 All citations: 2

18.

Viskolcz B, Laszlo S

Ab initio study on alkyl radical decomposition and alkyl radical addition to olefins

REACTION KINETICS AND CATALYSIS LETTERS 96:(2) pp. 245-262. (2009)

IF: 0.557

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 4 All citations: 4

19.

Szori Milan, Csizmadia Imre G, Fittschen Christa, Viskolcz Bela

Theoretical Study on Reactions of HO(2) Radical with Photodissociation Products of Cl(2)SO (ClSO and SO)

JOURNAL OF PHYSICAL CHEMISTRY A 113:(37) pp. 9981-9987. (2009)

IF: 2.899

Link(s): WoS / DOI / Full document at the publisher

 

Journal Article/Article/Scientific

Independent citations: 5 All citations: 5

20.

Mucsi Z, Chass GA, Viskolcz B, Csizmadia IG

A Quantitative Scale for the Extent of Conjugation of Substituted Olefines

JOURNAL OF PHYSICAL CHEMISTRY A 113:(27) pp. 7953-7962. (2009)

IF: 2.899

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Dependent (self-) citations: 1 All citations: 1

21.

Jójárt B, Viskolcz B, Csizmadia I G, László A, Sallay É, Endreffy E, Constantin T, Fekete Gy, Ries M

D266Y –a new alpha galactosidase A gene mutation detected in a Hungarian family with Fabry disease – Experimental and theoretical investigation

PHILOSOPHICAL NATURE 1:(1) pp. 33-42. (2009)

 

 

Journal Article/Article/Scientific

22.

Izsak Robert, Szori Milan, Knowles Peter J, Viskolcz Bela

High Accuracy ab Initio Calculations on Reactions of OH with 1-Alkenes. The Case of Propene

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 5:(9) pp. 2313-2321. (2009)

IF: 4.804

Link(s): WoS / DOI / Full document at the publisher

 

Journal Article/Article/Scientific

Independent citations: 8 Dependent (self-) citations: 1 All citations: 9

23.

Galant NJ, Wang H, Lee DR, Mucsi Z, Setiadi DH, Viskolcz B, Csizmadia IG

Thermodynamic Role of Glutathione Oxidation by Peroxide and Peroxybicarbonate in the Prevention of Alzheimer's Disease and Cancer

JOURNAL OF PHYSICAL CHEMISTRY A 113:(32) pp. 9138-9149. (2009)

IF: 2.899

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 3 All citations: 3

2008

24.

Szori Milan, Csizmadia Imre G, Viskolcz Bela

Nonenzymatic pathway of PUFA oxidation. A first-principles study of the reactions of OH radical with 1,4-pentadiene and arachidonic acid

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 4:(9) pp. 1472-1479. (2008)

IF: 4.274

Link(s): WoS / DOI / Full document at the publisher

 

Journal Article/Article/Scientific

25.

Mucsi Z, Hermecz I, Viskolcz B, Csizmadia I G, Keglevich Gy

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

TETRAHEDRON 64: pp. 1868-1878. (2008)

IF: 2.897

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 2 Dependent (self-) citations: 5 All citations: 7

26.

Mucsi Z, Chass GA, Viskolcz B, Csizmadia IG

Quantitative scale for the extent of conjugation of carbonyl groups: "Carbonylicity" percentage as a chemical driving force

JOURNAL OF PHYSICAL CHEMISTRY A 112:(38) pp. 9153-9165. (2008)

IF: 2.871

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Dependent (self-) citations: 2 All citations: 2

27.

Jojart B, Kiss R, Viskolcz B, Keseru GM

Activation mechanism of the human histamine H4 receptor - An explicit membrane molecular dynamics simulation study

JOURNAL OF CHEMICAL INFORMATION AND MODELING 48:(6) pp. 1199-1210. (2008)

IF: 3.643

Link(s): DOI /

 

Journal Article/Article/Scientific

Independent citations: 18 Dependent (self-) citations: 1 All citations: 19

28.

Balogh B, Jójárt B, Tapolcsányi P, Maes BUW, Viskolcz B, Mátyus P

Synthesis and QSAR modelling of cryptolepine and -carboline derivatives

1st Hungarian-Singaporean Workshop on Drug Discovery and Biomaterials, Budapest (2008)

 

 

Miscellaneous/Not classified/Scientific

29.

Andrada Matias F, Garro Martinez Juan C, Szori Milan, Zamarbide Graciela N, Tomas Vert Francisco, Viskolcz Bela, Estrada Mario R, Csizmadia Imre G

Thermodynamics of competing oxidation reactions of allyl methyl disulfide by hydrogen peroxide: a first principle molecular computational study on the conformations of allyl methyl disulfide and its oxidized products

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 21:(12) pp. 1048-1058. (2008)

IF: 1.415

Link(s): WoS / DOI / Full document at the publisher

 

Journal Article/Article/Scientific

Dependent (self-) citations: 1 All citations: 1

2007

30.

Viskolcz B, Szori M, Izsak R, Fejer SN, Csizmadia IG

Thermodynamic functions of conformational changes, Part IV: Functional analysis of conformational entropy of substituted ethane and methanol

In: Béla Viskolcz, Milán Szőri, Róbert Izsák, Szilárd N Fejér, Imre G Csizmadia
Georgi N Vayssilov, Tzonka Mineva (ed.)

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY: 3rd Humboldt Conference on Computational Chemistry

 

 

Oxford: Wiley-Blackwell, 2007. pp. 1826-1834.
(107.)

 

 

Link(s): WoS / DOI /

 

Chapter in Book/Conference paper/Scientific

Dependent (self-) citations: 2 All citations: 2

31.

Viskolcz B, Fejer SN, Jensen SJK, Perczel A, Csizmadia IG

Information accumulation in helical oligopeptide structures

CHEMICAL PHYSICS LETTERS 450:(1-3) pp. 123-126. (2007)

IF: 2.207

Link(s): DOI /

 

Journal Article/Article/Scientific

Independent citations: 1 Dependent (self-) citations: 1 All citations: 2

32.

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

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

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 9:(16) pp. 1931-1940. (2007)

IF: 3.343

Link(s): WoS / DOI / Full document at the publisher

 

Journal Article/Article/Scientific

Independent citations: 1 Dependent (self-) citations: 6 All citations: 7

33.

Sahai Michelle A, Szoeri Milan, Viskolcz Bela, Pai Emil F, Csizmadia Imre G

Transition state infrared spectra for the Trans -> Cis isomerization of a simple peptide model

JOURNAL OF PHYSICAL CHEMISTRY A 111:(34) pp. 8384-8389. (2007)

IF: 2.918

Link(s): WoS / DOI / Full document at the publisher

 

Journal Article/Article/Scientific

Independent citations: 3 Dependent (self-) citations: 1 All citations: 4

34.

Sahai MA, Viskolcz B, Pai EF, Csizmadia IG

Quantifying the intrinsic effects of two point mutation models of proline-proline diamino acid diamide: A first-principle computational study

JOURNAL OF PHYSICAL CHEMISTRY B - CONDENSED MATTER MATERIALS SURFACES INTERFACES AND BIOPHYSICAL 111:(39) pp. 11592-11602. (2007)

IF: 4.086

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 12 Dependent (self-) citations: 3 All citations: 15

35.

Sahai MA, Viskolcz B, Pai EF, Csizmadia IG

Quantifying the intrinsic effects of two point mutation models of pro-pro-pro triamino acid diamide. a first-principle computational study

JOURNAL OF PHYSICAL CHEMISTRY B - CONDENSED MATTER MATERIALS SURFACES INTERFACES AND BIOPHYSICAL 111:(45) pp. 13135-13142. (2007)

IF: 4.086

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 9 Dependent (self-) citations: 1 All citations: 10

36.

Musci Z, Viskolcz B, Csizmadia IG

A quantitative scale for the degree of aromaticity and antiaromaticity: A comparison of theoretical and experimental enthalpies of hydrogenation

JOURNAL OF PHYSICAL CHEMISTRY A 111:(6) pp. 1123-1132. (2007)

IF: 2.918

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

37.

Mucsi Z, Kötvélyesi T, Viskolcz B, Csizmadia IG, Novák T, Keglevich GY

Can four member heterophosphete structures exist? The contribution of the phosphorous d-orbitals to antiaromaticity

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY -:(11) pp. 1759-1767. (2007)

IF: 2.914

Link(s): WoS /Scopus / DOI /

 

Journal Article/Article/Scientific

Independent citations: 2 Dependent (self-) citations: 9 All citations: 11

38.

Mucsi Z, Tsai A, Szori M, Chass GA, Viskolcz B, Csizmadia IG

A quantitative scale for the extent of conjugation of the amide bond. Amidity percentage as a chemical driving force

JOURNAL OF PHYSICAL CHEMISTRY A 111:(50) pp. 13245-13254. (2007)

IF: 2.918

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 6 Dependent (self-) citations: 9 All citations: 15

39.

Béla Viskolcz, Milán Szőri, Róbert Izsák, Szilárd N Fejér, Imre G Csizmadia

Georgi N Vayssilov, Tzonka Mineva (ed.)

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY: 3rd Humboldt Conference on Computational Chemistry

 

Oxford: Wiley-Blackwell, 2007.
(107.)

 

 

 

Book/Conference proceedings/Scientific

40.

Balogh B, Gyires K, Jójárt B, Viskolcz B, Czompa A, Mátyus P

Molecular modeling on 2-adrenoceptors

5th Joint Meeting on Medicinal Chemistry, Portorož (2007)

 

 

Miscellaneous/Not classified/Scientific

41.

Balogh B, Jojart B, Wagner Z, Kovacs P, Mate G, Gyires K, Zadori Z, Falkay G, Marki A, Viskolcz B, Matyus P

3D QSAR models for alpha(2a)-adrenoceptor agonists

NEUROCHEMISTRY INTERNATIONAL 51:(5) pp. 268-276. (2007)

IF: 2.975

Link(s): WoS / Pubmed / DOI /

 

Journal Article/Article/Scientific

Independent citations: 4 All citations: 4

42.

Balogh B, Jójárt B, Viskolcz B, Mátyus P

3D modelling of 2-adrenoceptor agonists

Retrometabolism 6th Based Drug Design and Targeting Conference, Göd (2007)

 

 

Miscellaneous/Not classified/Scientific

2006

43.

Viskolcz B, Fejer SN, Csizmadia IG

Thermodynamic functions of conformational changes. 2. Conformational entropy as a measure of information accumulation

JOURNAL OF PHYSICAL CHEMISTRY A 110:(10) pp. 3808-3811. (2006)

IF: 3.047

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 2 Dependent (self-) citations: 7 All citations: 9

44.

Viskolcz B, Fejer SN, Szori M, Csizmadia IG

Thermodynamic functions of conformational changes I. A comparative first principles study of 1,2-disubstituted ethanes

MOLECULAR PHYSICS 104:(5-7) pp. 795-803. (2006)

IF: 1.690

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Dependent (self-) citations: 4 All citations: 4

45.

Szori Milan, Fittschen Christa, Csizmadia Imre G, Viskolcz Bela

Allylic H-abstraction mechanism: The potential energy surface of the reaction of propene with OH radical

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 2:(6) pp. 1575-1586. (2006)

IF: 3.627

Link(s): WoS / DOI / Full document at the publisher

 

Journal Article/Article/Scientific

Independent citations: 26 Dependent (self-) citations: 7 All citations: 33

46.

Sahai MA, Fejer SN, Viskolcz B, Pai EF, Csizmadia IG

First-principle computational study on the full conformational space of L-threonine diamide, the energetic stability of cis and trans isomers

JOURNAL OF PHYSICAL CHEMISTRY A 110:(40) pp. 11527-11536. (2006)

IF: 3.047

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 4 Dependent (self-) citations: 3 All citations: 7

47.

Law JMS, Szori M, Izsak R, Penke B, Csizmadia I, Viskolcz B

Folded and unfolded conformations of the omega-3 polyunsaturated fatty acid family: CH3CH2[CH=CHCH2](B)[CH2](M)COOH. First principles study

JOURNAL OF PHYSICAL CHEMISTRY A 110:(18) pp. 6100-6111. (2006)

IF: 3.047

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 3 Dependent (self-) citations: 1 All citations: 4

48.

Izsak R, Jojart B, Csizmadia IG, Viskolcz B

Role of aromacity, ring strain, and stereochemistry of selected disulfides and their congeners in the oxidative linkage of DNA strands at the major groove. A computational study

JOURNAL OF CHEMICAL INFORMATION AND MODELING 46:(6) pp. 2527-2536. (2006)

IF: 3.423

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Dependent (self-) citations: 1 All citations: 1

49.

Hassouna M, Delbos E, Devolder P, Viskolcz B, Fittschen C

Rate and equilibrium constant of the reaction of 1-methylvinoxy radicals with O-2: CH3COCH2+O-2 <-> CH3COCH2O2

JOURNAL OF PHYSICAL CHEMISTRY A 110:(21) pp. 6667-6672. (2006)

IF: 3.047

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 14 Dependent (self-) citations: 1 All citations: 15

50.

Fejer SN, Csizmadia IG, Viskolcz B

Thermodynamic functions of conformational changes: Conformational network of glycine diamide folding, entropy lowering, and informational accumulation

JOURNAL OF PHYSICAL CHEMISTRY A 110:(49) pp. 13325-13331. (2006)

IF: 3.047

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Dependent (self-) citations: 7 All citations: 7

51.

Delbos E, Fittschen C, Hippler H, Krasteva N, Olzmann M, Viskolcz B

Rate coefficients and equilibrium constant for the CH2CHO+O-2 reaction system

JOURNAL OF PHYSICAL CHEMISTRY A 110:(9) pp. 3238-3245. (2006)

IF: 3.047

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 10 Dependent (self-) citations: 1 All citations: 11

2005

52.

Viskolcz B, Jensen SJK

Theoretical studies of carbon dioxide catalysis of peroxynitrite isomerizations

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 731:(1-3) pp. 57-60. (2005)

IF: 1.045

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 4 All citations: 4

53.

Sahai MA, Kehoe TAK, Koo JCP, Setiadi DH, Chass GA, Viskolcz B, Penke B, Pai EF, Csizmadia IG

First principle computational study on the full conformational space of L-proline diamides

JOURNAL OF PHYSICAL CHEMISTRY A 109:(11) pp. 2660-2679. (2005)

IF: 2.898

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 17 Dependent (self-) citations: 5 All citations: 22

54.

Nagy CM, Fejer SN, Berek L, Molnar J, Viskolcz B

Hydrogen bondings in deoxynivalenol (DON) conformations - A density functional study

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 726:(1-3) pp. 55-59. (2005)

IF: 1.045

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 6 All citations: 6

55.

Law JMS, Fejer SN, Setiadi DH, Chass GA, Viskolcz B

Molecular orbital computations on lipids: an ab initio exploratory study on the conformations of glycerol and its fluorine congeners

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 722:(1-3) pp. 79-96. (2005)

IF: 1.045

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 3 All citations: 3

56.

Law JMS, Setiadi DH, Chass GA, Csizmadia IG, Viskolcz B

Flexibility of "polyunsaturated fatty acid chains" and peptide backbones: A comparative ab initio study

JOURNAL OF PHYSICAL CHEMISTRY A 109:(3) pp. 520-533. (2005)

IF: 2.898

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Dependent (self-) citations: 3 All citations: 3

57.

Hegedus IL, Sahai MA, Labadi M, Szori M, Paragi G, Viskolcz B, Bottoni A

Selenocysteine derivatives I. Sidechain conformational potential energy surface of N-acetyl-L-selenocysteine-N-methylamide (MeCO-L-Sec-NH-Me) in its beta(L) backbone conformation

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 725: pp. 111-125. (2005)

IF: 1.045

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 4 All citations: 4

58.

Hack W, Hoyermann K, Olzmann M, Viskolcz B, Wehmeyer J, Zeuch T

The reactions of the branched alkyl radicals iso-butyl and neo-pentyl with oxygen atoms - an experimental and theoretical study

PROCEEDINGS OF THE COMBUSTION INSTITUTE 30: pp. 1005-1013. (2005)

 

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 1 Dependent (self-) citations: 5 All citations: 6

59.

Chass GA, Mirasol RS, Setiadi DH, Tang TH, Chin W, Mons M, Dimicoli I, Dognon JP, Viskolcz B, Lovas S, Penke B, Csizmadia IG

Characterization of the conformational probability of N-acetyl-phenylalanyl-NH2 by RHF, DFT, and MP2 computation and AIM analyses, confirmed by jet-cooled infrared data

JOURNAL OF PHYSICAL CHEMISTRY A 109:(24) pp. 5289-5302. (2005)

IF: 2.898

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 11 Dependent (self-) citations: 7 All citations: 18

2004

60.

Szilágyi I, Dóbé S, Bérces T, Márta F, Viskolcz B

Direct kinetic study of reactions of hydroxyl radicals with alkyl formates

ZEITSCHRIFT FÜR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY AND CHEMICAL PHYSICS 218:(4) pp. 479-492. (2004)

IF: 0.855

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 6 Dependent (self-) citations: 1 All citations: 7

2003

61.

Szori M, Viskolcz B

Conformation analysis of 1,4-pentadien-3-yl radicals by ab initio and DFT methods

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 666: pp. 153-158. (2003)

IF: 1.027

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Dependent (self-) citations: 1 All citations: 1

62.

Schubert F, M Tóth T, Viskolcz B, Kele Z

Identification of multiple generation oil inclusions trapped in quartz single crystals using stepwise heating Chemical Ionisation Mass Spectroscopy

ACTA MINERALOGICA PETROGRAPHICA 2: pp. 174-175. (2003)

 

 

Journal Article/Abstract/Scientific

Independent citations: 1 All citations: 1

63.

Salpietro SJ, Viskolcz B, Csizmadia IG

An exploratory ab initio study on the entropy of various backbone conformers for the HCO-Gly-Gly-Gly-NH2 tripeptide motif

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 666: pp. 89-94. (2003)

IF: 1.027

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 4 All citations: 4

64.

Law JMS, Koo JCP, Setiadi DH, Chass GA, Viskolcz B, Csizmadia IG

Molecular orbital computations on lipids: modular numbering

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 666-667: pp. 445-449. (2003)

IF: 1.027

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

65.

Konya VV, Meszaros PG, Viskolcz B, Csizmadia IG

Conformational analysis of oxidized vitamin-C

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 666: pp. 397-400. (2003)

IF: 1.027

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 2 Dependent (self-) citations: 1 All citations: 3

66.

Kehoe TAK, Peterson MR, Chass GA, Viskolcz B, Stacho L, Csizmadia IG

The fitting and functional analysis of a double rotor potential energy surface for the R and S enantiomers of 1-chloro-3-fluoro-isobutane

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 666-667: pp. 79-87. (2003)

IF: 1.027

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Dependent (self-) citations: 2 All citations: 2

67.

Gasparro D M, Almeida D R P, Pisterzi L F, Juhasz J R, Viskolcz B, Penke B, Csizmadia I G

Reaction profiling of the MAO-B catalyzed oxidative deamination of amines in Alzheimer's disease

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 666-667: pp. 527-536. (2003)

IF: 1.027

Link(s): WoS /

 

Journal Article/Article/Scientific

Independent citations: 2 All citations: 2

2002

68.

Hippler H, Viskolcz B

Competition between alkyl radical addition to carbonyl bonds and H-atom abstraction reactions

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 4:(19) pp. 4663-4668. (2002)

IF: 1.838

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 18 All citations: 18

2001

69.

Hippler H, Striebel F, Viskolcz B

A detailed experimental and theoretical study on the decomposition of methoxy radicals

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 3:(12) pp. 2450-2458. (2001)

IF: 1.787

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 28 Dependent (self-) citations: 7 All citations: 35

70.

Hack W, Hoyermann K, Kersten C, Olzmann M, Viskolcz B

Mechanism of the 1-C4H9+O reaction and the kinetics of the intermediate 1-C4H9O radical

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 3:(12) pp. 2365-2371. (2001)

IF: 1.787

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 4 Dependent (self-) citations: 6 All citations: 10

2000

71.

Viskolcz B, Bérces T

Enthalpy of formation of selected carbonyl radicals from theory and comparison with experiment

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2: pp. 5430-5436. (2000)

IF: 1.653

 

Journal Article/Article/Scientific

Independent citations: 12 Dependent (self-) citations: 4 All citations: 16

72.

Marsi I, Viskolcz B, Seres L

Application of the group additivity method to alkyl radicals: An ab initio study

JOURNAL OF PHYSICAL CHEMISTRY A 104:(19) pp. 4497-4504. (2000)

IF: 2.754

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 18 Dependent (self-) citations: 8 All citations: 26

73.

Hippler H, Viskolcz B

Addition complex formation vs. direct abstraction in the OH+C2H4 reaction

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2:(16) pp. 3591-3596. (2000)

IF: 1.653

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 30 Dependent (self-) citations: 4 All citations: 34

74.

Fittschen C, Hippler H, Viskolcz B

The beta C-C bond scission in alkoxy radicals: thermal unimolecular decomposition of t-butoxy radicals

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2:(8) pp. 1677-1683. (2000)

IF: 1.653

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 48 Dependent (self-) citations: 12 All citations: 60

1999

75.

Hoyermann K, Olzmann M, Seeba J, Viskolcz B

Reactions of C2H5 radicals with O, O-3, and NO3: Decomposition pathways of the intermediate C2H5O radical

JOURNAL OF PHYSICAL CHEMISTRY A 103:(29) pp. 5692-5698. (1999)

IF: 2.695

Link(s): WoS / DOI /

 

Journal Article/Article/Scientific

Independent citations: 32 Dependent (self-) citations: 13 All citations: 45

76.

Devolder P, Fittschen CH, Frenzel A, Hippler H, Poskrebyshev G, Striebel F, Viskolcz B

Complete falloff curves for the unimolecular decomposition of i-propoxy radicals between 330 and 408 K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1: pp. 675-681. (1999)

 

Link(s): WoS /

 

Journal Article/Article/Scientific

Independent citations: 37 Dependent (self-) citations: 15 All citations: 52

77.

Caralp F, Devolder P, Fittschen C, Gomez N, Hippler H, Mereau R, Rayez MT, Striebel F, Viskolcz B

The thermal unimolecular decomposition rate constants of ethoxy radicals

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1:(12) pp. 2935-2944. (1999)

 

Link(s): WoS /

 

Journal Article/Article/Scientific

Independent citations: 58 Dependent (self-) citations: 19 All citations: 77

1998

78.

Ziemer H, Dóbé S, Wagner HG, Viskolcz B, Olzmann M, Temps F

Kinetics of The Reactions of Hco With H And D Atoms <szki>

BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS 102: pp. 897-905. (1998)

IF: 1.355

 

Journal Article/Article/Scientific

Independent citations: 4 Dependent (self-) citations: 2 All citations: 6

79.

Lendvay G, Viskolcz B

Ab initio studies of the isomerization and decomposition reactions of the 1-butoxy radical

JOURNAL OF PHYSICAL CHEMISTRY A 102: pp. 10777-10786. (1998)

IF: 1.950

Link(s): WoS /

 

Journal Article/Article/Scientific

Independent citations: 35 Dependent (self-) citations: 8 All citations: 43

1997

80.

Viskolcz B, Lendvay G, Seres L

Ab initio barrier heights and branching ratios of isomerization reactions of a branched alkyl radical

JOURNAL OF PHYSICAL CHEMISTRY A 101: pp. 7119-7127. (1997)

 

Link(s): WoS /

 

Journal Article/Article/Scientific

Independent citations: 40 Dependent (self-) citations: 7 All citations: 47

81.

Hoyermann K, Seeba J, Olzmann M, Viskolcz B

The gas phase reactions of benzyl radicals with O, O-3, and NO3: Rate, mechanism, and unimolecular decomposition of the chemically activated benzoxy radical

BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS 101:(3) pp. 538-544. (1997)

IF: 1.521

Link(s): WoS /

 

Journal Article/Article/Scientific

Independent citations: 5 Dependent (self-) citations: 3 All citations: 8

1996

82.

Viskolcz B, Lendvay G, Kortvelyesi T, Seres L

Intramolecular H atom transfer reactions in alkyl radicals and the ring strain energy in the transition structure

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 118:(12) pp. 3006-3009. (1996)

IF: 5.948

Link(s): WoS /

 

Journal Article/Article/Scientific

Independent citations: 52 Dependent (self-) citations: 6 All citations: 58