scientific resume
list of scientific papers
some information about my current and past research areas
about my family

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scientific papers

  • A. Ganyecz, M. Kállay, and J. Csontos Moderate-Cost Ab Initio Thermochemistry with Chemical Accuracy. JCTC 2017, 12, 2679-2688. (doi:10.1021/acs.jctc.7b00607)
  • A. Ganyecz, M. Kállay, and J. Csontos Accurate Theoretical Thermochemistry for Fluoroethyl Radicals. JPCA 2017, 121, 1153-1162. (doi:10.1021/acs.jpca.6b12404)
  • J. Csontos, B. Nagy, L. Gyevi-Nagy, M. Kállay, and G. Tasi Enthalpy Differences of the n-Pentane Conformers. JCTC 2016, 12, 2679-2688. (doi:10.1021/acs.jctc.6b00280)
  • A. Ganyecz, J. Csontos, B. Nagy, and M. Kállay Theoretical and Thermochemical Network Approaches To Determine the Heats of Formation for HO2 and Its Ionic Counterparts. JPCA 2015, 119, 1164-1176. (doi:10.1021/jp5104643)
  • D. Mester, J. Csontos, and M. Kállay Unconventional bond functions for quantum chemical calculations. TCA 2015, 134:74. (doi:10.1007/s00214-015-1670-2)
  • A. Ganyecz, J. Csontos, B. Nagy, and M. Kállay Theoretical and Thermochemical Network Approaches To Determine the Heats of Formation for HO2 and Its Ionic Counterparts. JPCA 2015, 119, 1164-1176. (doi:10.1021/jp5104643)
  • B. Nagy, B. Csontos, J. Csontos, P. Szakács, and M. Kállay High-Accuracy Theoretical Thermochemistry of Fluoroethanes. JPCA 2014, 118, 4824-4836. (doi:10.1021/jp503492a)
  • A. Bodi, J. Csontos, M. Kállay, S. Borkar, and B. Sztáray On the protonation of water. Chem. Sci. 2014, 5, 3057-3063. (doi:10.1039/c4sc00791c)
  • B. Csontos, B. Nagy, J. Csontos, and M. Kállay Dissociation of the Fluorine Molecule. JPCA 2013, 117, 5518-5528. (doi:10.1021/jp403387n)
  • D. Barna, B. Nagy, J. Csontos, A.G. Császár, and G. Tasi Benchmarking Experimental and Computational Thermochemical Data: A Case Study of the Butane Conformers. JCTC 2012, 8, 479-486. (doi:10.1021/ct2007956)
  • G.C.J. Abell, S.S. Robert, D.M.F. Frampton, J.K. Volkman, F. Rizwi, J. Csontos, and L. Bodrossy High-Throughput Analysis of Ammonia Oxidiser Community Composition via a Novel, amoA-Based Functional Gene Array. PLoS ONE 2012, 7, e51542. (doi:10.1371/journal.pone.0051542)
  • J. Csontos and M. Kállay Benchmark Theoretical Study on the Dissociation Energy of Chlorine. JPCA 2011, 115, 7765-7772. (doi:10.1021/jp2020879)
  • B. Nagy, P. Szakács, J. Csontos, Z. Rolik, G. Tasi, and M. Kállay High-Accuracy Theoretical Thermochemistry of Atmospherically Important Sulfur-Containing Molecules. JPCA 2011, 115, 7823-7833. (doi:10.1021/jp203406d)
  • P. Szakács, J. Csontos, S. Das, and M. Kállay High-Accuracy Theoretical Thermochemistry of Atmospherically Important Nitrogen Oxide Derivatives. JPCA 2011, 115, 3144-3153. (doi:10.1021/jp112116x)
  • B. Nagy, J. Csontos, M. Kállay, and G. Tasi High-Accuracy Theoretical Study on the Thermochemistry of Several Formaldehyde Derivatives. JPCA 2010, 114, 13213-13221. (doi:10.1021/jp1085203)
  • J. Csontos, Z. Rolik, S. Das, and M. Kállay High-Accuracy Thermochemistry of Atmospherically Important Fluorinated and Chlorinated Methane Derivatives. JPCA 2010, 114, 13093-13103. (doi:10.1021/jp105268m)
  • J. Csontos, R.F. Murphy, and S. Lovas Weakly polar and H-bonding interactions and their role in the stabilization of the conformers of FGG, WGG and YGG (An aqueous phase computational study). Biopolymers 2008, 89, 1002-1011. (doi:10.1002/bip.21049)
  • M.P.D. Hatfield, N.Y. Palermo, J. Csontos, R.F. Murphy, and S. Lovas Quantum chemical quantification of weakly polar interaction energies in the TC5b miniprotein. JPCB 2008, 112, 3503-3508. (doi:10.1021/jp077674h)
  • J. Csontos, P. Kálmán, M. Kálmán, G. Tasi, and S. Lovas The effect of electron correlation on the conformational space of melatonin. JCC 2008, 29, 1466-1471. (doi:10.1002/jcc.20907)
  • J. Csontos, N.Y. Palermo, R.F. Murphy, and S. Lovas Calculation of weakly polar interaction energies in polypeptides using density functional and local Møller-Plesset perturbation theory. JCC 2008, 29, 1344-1352. (doi:10.1002/jcc.20898)
  • J. Csontos, N.Y. Palermo, R.F. Murphy, and S. Lovas Reply to "Comment on aromatic-backbone interactions in model α-helical peptides". JCC 2008, 29, 4-7. (doi:10.1002/jcc.20868)
  • M.P.D. Hatfield, N.Y. Palermo, J. Csontos, R.F. Murphy, and S. Lovas Evaluation of methods to cap molecular fragments in calculating energies of interaction in avian pancreatic polypeptide. IJQC 2008, 108, 1017-1021. (doi:10.1002/qua.21553)
  • N.Y. Palermo, J. Csontos, R.F. Murphy, and S. Lovas Role of aromatic residues in stabilizing the secondary and tertiary structure of avian pancreatic polypeptide. IJQC 2008, 108, 814-819. (doi:10.1002/qua.21521)
  • N.Y. Palermo, J. Csontos, M.C. Owen, R.F. Murphy, and S. Lovas Aromatic-backbone interactions in model α-helical peptides. JCC 2007, 28, 1208-1214. (doi:10.1002/jcc.20578)
  • K. Danyi, G. Kókai, and J. Csontos A novel mathematical model for the optimization of DNA-chip design and its implementation. LNCS 2006, 3907, 23-33. (doi:10.1007/11732242_3)
  • N. Stralis-Pavese, A. Sessitsch, A. Weilharter, T. Reichenauer, J. Riesing, J. Csontos, C.J. Murrell, and L. Bodrossy Optimization of diagnostic microarray for application in analyzing landfill methanotroph communities under different plant covers. Environ. Microbiol. 2004, 6, 347-363. (doi:10.1111/j.1462-2920.2004.00582.x)
  • J. Csontos, M. Kálmán, and G. Tasi The stereochemistry of the chemical expression of darkness. THEOCHEM 2003, 666-667, 515-520. (doi:10.1016/j.theochem.2003.08.075)
  • J. Csontos, M. Kálmán, and G. Tasi Conformational analysis of melatonin at Hartree-Fock ab initio level. THEOCHEM 2003, 640, 69-77. (doi:10.1016/j.theochem.2003.08.005)
  • G. Tasi, F. Mizukami, J. Csontos, W. Győrffy, and I. Pálinkó Quantum algebraic-combinatoric study of the conformational properties of n-alkanes. II. J. Math. Chem. 2000, 27, 191-199. (doi:10.1023/A:1026472102742)
  • G. Tasi, F. Mizukami, I. Pálinkó, J. Csontos, W. Győrffy, P. Nair, K. Maeda, M. Toba, S. Niwa, Y. Kiyozumi, and I. Kiricsi Enumeration of the conformers of unbranched aliphatic alkanes. JPCA 1998, 102, 7698-7703. (doi:10.1021/jp981866i)
  • G. Hajós, G. Tasi, J. Csontos, W. Győrffy, Z. Riedl, G. Timári, and A. Messmer MEP maps as useful tools for prediction of selectivity of alkylations of fused N-heteroaromatics. THEOCHEM 1998, 455, 191-198. (doi:10.1016/S0166-1280%2898%2900115-8)