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personal data approved: 2016. XI. 13.
Personal data
name Ödön Farkas
year of birth 1966
name of institution
doctoral school
ELTE Doctoral School of Chemistry (Supervisor)
accreditation statement submitted to: Eötvös Loránd University, Budapest
Contact details
E-mail address farkaschem.elte.hu
phone number +36 1 372-2570
mobile phone number +36 30 255-3111
own web page
Academic title
scientific degree, title Ph.D.
year degree was obtained 1996
discipline to which degree belongs chemistry
institution granting the degree HAS
scientific degree, title CSc
year degree was obtained 1996
discipline to which degree belongs
institution granting the degree HAS
Employment
2007 - Eötvös Loránd Tudományegyetem (research institute, not university)
2001 - Eötvös Loránd Tudományegyetem (research institute, not university)
2001 - ELTE Kémiai Intézet (research institute, not university)
1998 - Eötvös Loránd Tudományegyetem (research institute, not university)
1996 - Wayne State University, Detroit, MI, USA (research institute, not university)
1989 - Eötvös Loránd Tudományegyetem (research institute, not university)
Thesis topic supervisor
number of doctoral students supervised until now 2
number of students who fulfilled course requirements 2
students who obtained their degrees:
Adrián Kalászi PhD 2008  DSC-ELTE

completed course requirement, without degree or degree granting in process:
(50%) Dániel Szisz (PhD) 2014/08  
Péter Cseh (PhD) 2013/08  
László Antal (PhD) 2013/08  
present PhD students:
Domonkos Fehér (p) (PhD) (2020/08)  DSC-ELTE
  Thesis topic proposals
Research
research area theoretical and computational chemistry, applied quantum chemistry, 3D molecular structure and conformers, generating conformations, mathematics of linear relationship, 3D QSAR, inverse QSAR
research field in which current research is conducted chemistry
Publications
2015

Weiser D, Bencze L C, Bánóczi G, Ender F, Kiss R, Kókai E, Szilágyi A, Vértessy B G, Farkas Ö, Paizs C, Poppe L: Phenylalanine ammonia-lyase catalyzed deamination of an acyclic amino acid - Enzyme mechanistic studies aided by a novel microreactor filled with magnetic nanoparticles, CHEMBIOCHEM 16: (16) pp. 2283-2288.
type of document: Journal paper/Article
number of independent citations: 1
language: English
DOI 
2013

Jákli I, Csizmadia IG, Fejer SN, Farkas Ö, Viskolcz B, Knak Jensen SJ, Perczel A: Helix compactness and stability: Electron structure calculations of conformer dependent thermodynamic functions, CHEMICAL PHYSICS LETTERS 563: pp. 80-87.
type of document: Journal paper/Article
language: English
URL 
2012

Ferenc Ruff, István Jalsovszky, Dénes Szabó, József Rábai, Ödön Farkas, Árpád Kucsman: Mechanism for the reactions of sulfides and sulfoxides with hypochlorites: racemization and oxygen exchange of oxysulfonium salts and sulfoxides, JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 25: pp. 1086-1096.
type of document: Journal paper/Article
number of independent citations: 4
language: English
DOI 
2012

Pilbak S, Farkas O, Poppe L: Mechanism of the Tyrosine Ammonia Lyase Reaction-Tandem Nucleophilic and Electrophilic Enhancement by a Proton Transfer, CHEMISTRY-A EUROPEAN JOURNAL 18: (25) pp. 7793-7802.
type of document: Journal paper/Article
number of independent citations: 12
language: English
DOI 
2011

Ruff F, Farkas O: Concerted S(N)2 mechanism for the hydrolysis of acid chlorides: comparisons of reactivities calculated by the density functional theory with experimental data, JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 24: (6) pp. 480-491.
type of document: Journal paper/Article
number of independent citations: 8
language: English
DOI 
2003

Perczel A, Farkas O, Jakli I, Topol I A, Csizmadia I G: 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, JOURNAL OF COMPUTATIONAL CHEMISTRY 24: pp. 1026-1042.
type of document: Journal paper/Article
number of independent citations: 40
language: English
DOI 
2003

Vreven T, Morokuma K, Farkas O, Schlegel HB, Frisch MJ: Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints, JOURNAL OF COMPUTATIONAL CHEMISTRY 24: (6) pp. 760-769.
type of document: Journal paper/Article
number of independent citations: 288
language: English
DOI 
2002

Farkas O, Schlegel HB: Methods for optimizing large molecules - Part III. An improved algorithm for geometry optimization using direct inversion in the iterative subspace (GDIIS), PHYSICAL CHEMISTRY CHEMICAL PHYSICS 4: (1) pp. 11-15.
type of document: Journal paper/Article
number of independent citations: 78
language: English
1999

Farkas O, Schlegel HB: Methods for optimizing large molecules. II. Quadratic search, JOURNAL OF CHEMICAL PHYSICS 111: (24) pp. 10806-10814.
type of document: Journal paper/Article
number of independent citations: 131
language: English
DOI 
1998

Farkas O, Schlegel HB: Methods for geometry optimization of large molecules. I. An O(N-2) algorithm for solving systems of linear equations for the transformation of coordinates and forces, JOURNAL OF CHEMICAL PHYSICS 109: (17) pp. 7100-7104.
type of document: Journal paper/Article
number of independent citations: 40
language: English
Number of independent citations to these publications:602 
Scientometric data
list of publications and citations
number of scientific publications that meet accreditation criteria:
57
number of scientific publications:
68
monographs and professional books:
0
monographs/books in which chapters/sections were contributed:
1 
art/engineering creative works:
0
number of independent citations to scientific publications and creative works:
1043
further relevant information regarding accreditation (in Hungarian)
Computer program development and valuable scientific contribution to: Gaussian 98 and Gaussian 03 quantum chemical program packages (contribution to treating redundant internal coordinate system for optimizing large molecules). These programs have more the 50000 references in the scientific literature. Also contribution to automatic 3D structure builder in Chmaxon's Marvin program.

 
All rights reserved © 2007, Hungarian Doctoral Council. Doctoral Council registration number at commissioner for data protection: 02003/0001. Program version: 1.2318 ( 2016. XI. 26. )