György Tarczay György Tarczay - Publications

    1. L. Szepes, G. Tarczay
      High Energy Spectroscopy: Photoelectron Spectrometers,
      chapter in J. C. Lindon, G. E. Tranter, John L. Holmes (Eds.) Encyclopaedia of Spectroscopy and Spectrometry, Academic Press Ltd, UK, 1999.

    2. G. Tarczay, L. Szepes
      Spectroscopy and Stucture Elucidation of Organometallic Compounds,
      chapter in F. Faigl, L. Kollár, A. Kotschy, L. Szepes Organometallic Chemistry (textbook, in Hungarian), Nemzeti Tankönyvkiadó, Budapest, 2001.

    3. A. G. Császár, G. Tarczay, M. L. Leininger, O. L. Polyansky, J. Tennyson, W. D. Allen
      Dream or Reality Complete Basis Set Full Configuration Interaction Potential Energy Hypersurfaces,
      chapter J. Demaison and K. Sarka (Eds.) Spectroscopy from Space, NATO ARW Series C, Kluwer, Dordrecht, 2001.
    4. G. Bazsó, G. Magyarfalvi, G. Tarczay
      A mátrixizolációs technika: molekulakomplexektől reaktív gyökökig
      Magyar Kémiai Folyóirat 112, 137 (2006).
    1. G. Tarczay, A. G. Császár, W. Klopper, V. Szalay, W. D. Allen and H. F. Schaefer, III
      The Barrier to Linearity of Water
      J. Chem. Phys. 110, 11971 (1999).
    2. G. Schultz, Á. Szabados, G. Tarczay, K. Zauer
      Molecular Structure of 1,2,4,5-tetracyano-benzene from Gas Phase Electron Diffraction and Theoretical Calculations
      Struct. Chem. 10, 149 (1999).
    3. Z. Szlávik, G. Tárkányi, G. Tarczay, Á. Gömöry, J. Rábai
      Synthesis of 3-perfluoroalkyl-propyl Esters of L-(+)-tartaric Acid
      J. of Fluorine Chem. 98, 83 (1999).
    4. P. Perjési, T. Nusser, G. Tarczay and P. Sohár
      E-2-Benzylidene Benzocycloalkanones. Synthesis, Stereostructure and NMR Spectroscopic Investigation
      J. Mol. Str. 479, 21 (1999).
    5. G. Tarczay, K. Vékey, K. Ludányi, P. Perjési, and P. Sohár
      E-2-Benzylidene benzocycloalkanones II. IR and Mass Spectrometric Investigation
      J. Mol. Str. 520, 97 (2000).
    6. G. Tarczay, A. G. Császár, M. L. Leininger, W. Klopper
      The Barrier to Linearity of Hydrogen Sulphide
      Chem. Phys. Lett. 322, 119 (2000).
    7. G. Tarczay, G. Vass, G. Magyarfalvi, L. Szepes
      He(I) Photoelectron Spectroscopy and Electronic Structure of Alkyllithium Clusters
      Organometallics 19, 3925 (2000).
    8. P. Pyykkö, K. G. Dyall, A. G. Császár, G. Tarczay, O. L. Polyansky, and J. Tennyson
      Estimation of Lamb Shift Effects for Molecules. Application to the Rotation-vibration Spectra of Water
      Phys. Rev. A 63, 024502 (2001).
    9. Z. Szlávik, G. Tárkányi, Á. Gömöry, G. Tarczay, J. Rábai
      Convenient Syntheses and Characterization of Fluorophilic Perfluorooctyl-propyl Amines and Ab Initio Calculations of Proton Affinities of Related Model Compounds
      J. of Fluorine Chem. 108, 7 (2001).
    10. W. Klopper, C. C. M. Samson, G. Tarczay, A. G. Császár
      Equilibrium Inversion Barrier of NH3 from Extrapolated Coupled-cluster Pair Energies
      J. Comput. Chem. 22, 1306 (2001). .
    11. G. Tarczay, A. G. Császár, O. L. Polyansky, and J. Tennyson
      Ab Initio Rovibrational Spectroscopy of Hydrogen Sulphide
      J. Chem. Phys. 115, 1229 (2001).
      Supplementary material, Fortran codes.
    12. H. M. Quiney, P. Barletta, G. Tarczay, A. G. Császár, O. L. Polyansky, and J. Tennyson
      Two-electron Relativistic Corrections to the Potential Energy Hypersurface and Vibration-rotation Levels of Water
      Chem. Phys. Lett. 344, 413 (2001).
    13. G. Tarczay, A. G. Császár, W. Klopper, H. M. Quiney
      Anatomy of Relativistic Energy Corrections in Light Molecular Systems
      Mol. Phys. 99, 1769 (2001).
    14. S. Ullrich, G. Tarczay, X. Tong, C. E. H. Dessent, K. Müller-Dethlefs
      A ZEKE Photoelectron Spectroscopy and Ab Initio Study of the of the Cis- and Trans- Isomers of Formanilide: Characterizing the Cationic Amide Bond?
      Phys. Chem. Chem. Phys. 3, 5450 (2001).
    15. S. Ullrich, G. Tarczay, K. Müller-Dethlefs
      A REMPI and ZEKE Spectroscopic Study of the PhenolˇKr and PhenolˇXe van der Waals Complexes
      J. Phys. Chem. A 106, 1496 (2002).
    16. S. Ullrich, G. Tarczay, X. Tong, C. E. H. Dessent, K. Müller-Dethlefs
      ZEKE Photoelectron Spectroscopy of the Cis- and Trans- Isomers of the Aromatic Amide, Formanilide
      Angew. Chem. Int. Ed. 41, 166 (2002).
    17. S. Ullrich, G. Tarczay, X. Tong, Mark S. Ford, C. E. H. Dessent, K. Müller-Dethlefs
      A REMPI and ZEKE Spectroscopic Study of the Trans-formanilideˇargon van der Waals Cluster
      Chem. Phys. Lett. 351, 121 (2002).
    18. S. Ullrich, X. Tong, G. Tarczay, C. E. H. Dessent, K. Müller-Dethlefs
      Hydratation of a Cationic Amide Group A ZEKE Spectroscopic Study of Trans-formanilideˇWater
      Phys. Chem. Chem. Phys. 4, 2897 (2002).
    19. G. Vass, G. Tarczay, G. Magyarfalvi, A. Bődi, L. Szepes
      HeI Photoelectron Spectroscopy of Trialkylaluminum and Dialkylalane Compounds and their Oligomers
      Organometallics 21, 2751 (2002).
    20. J. M. Gonzales, C. Pak, R. S. Cox., W. D. Allen, H. F. Schaefer, III, A. G. Császár, G. Tarczay
      Definitive Ab Initio Studies of Model SN2 Reactions CH3X + F- (X=F, Cl, CN, OH, SH, NH2, PH2)
      Chem. Eur. J. 9, 2173 (2003).
    21. S. Gopalakrishnan, C. C. Carter, L. Zu, V. Stakhursky, G. Tarczay, and T. A. Miller
      Rotationally Resolved B-X Electronic Spectra of Both Conformers of the 1-Propoxy Radical
      J. Chem. Phys. 118, 4954 (2003).
    22. M. L. Liu, C. L. Lee, A. Bezant, G. Tarczay, R. J. Clark, T. A. Miller, B. C. Chang,
      Dispersed Fluorescence Spectra of the CCl2 A-X Vibronic Bands
      Phys. Chem. Chem. Phys. 5, 1352 (2003).
    23. G. Tarczay, S. Gopalakrishnan, T. A. Miller
      Theoretical Prediction of Spectroscopic Constants of 1-alkoxy Radicals
      J. Mol. Spectrosc. 220, 276 (2003).
    24. L. Zu, J. Liu, G. Tarczay, P. Dupré, T. A. Miller
      Jet Cooled Laser Spectroscopy of the Cyclohexoxy Radical
      J. Chem. Phys. 120, 10579 (2004).
    25. J. Jin, I. Sioutis, G. Tarczay, A. Bezant, S. Gopalakrishnan, T. A. Miller
      Dispersed Fluorescence Spectroscopy of Alkoxy Radicals
      J. Chem. Phys. 121, 11780 (2004).
    26. G. Tarczay, S. J. Zalyubovsky, T. A. Miller
      Conformational Analysis of the 1- and 2-Propyl Peroxy Radicals
      Chem. Phys. Lett. 406, 81 (2005).
    27. G. Tarczay, T. A. Miller, G. Czakó, A. G. Császár
      Accurate ab initio determination of spectroscopic and thermochemical properties of mono- and dichlorocarbenes
      Phys. Chem. Chem. Phys. 7, 2881 (2005).
    28. Z. Kolos, D. Knausz, J. Rohonczy, E. Vass, G. Tarczay,  G. Pongor
      On the use of empirically corrected theoretical procedures in preparative chemistry: Synthesis, spectroscopic and theoreticalstudies on 1,3-bis(trimethylsilyl)benzimidazol-2-one
      Chem. Phys. 318, 191 (2005).
    29. G. Tarczay, G. Magyarfalvi, E. Vass
      Towards the Determination of the Absolute configuration of Complex Molecular Systems: Matrix Isolation Vibrational Circular Dichroism Study of (R)-2-Amino-1-propanol
      Angew. Chem. Int. Ed. 45, 1775 (2006).
    30. E. Mátyus, G. Magyarfalvi, G. Tarczay
      Conformers and Photochemistry of Propyl Nitrites: A Matrix Isolation Study
      J. Phys. Chem. A 111, 450 (2007).
    31. P. Rupper, E. N. Sharp, G. Tarczay, T. A. Miller
      Investigation of Ethyl Peroxy Radical Conformers via Cavity Ringdown Spectroscopy of the A-X Electronic Transition
      J. Phys. Chem. A 111, 832 (2007).
    32. G. Pohl, A. Perczel, G. Magyarfalvi, E. Vass, G. Tarczay
      A Matrix Isolation Study on Ac-Gly-NHMe and Ac-L-Ala-NHMe, the Simplest Chiral and Achiral Building Blocks of Petides and Proteins
      Phys. Chem. Chem. Phys. 9, 4698 (2007).
    33. G. Pohl, A. Perczel, G. Magyarfalvi, E. Vass, G. Tarczay
      A Matrix Isolation Study on the Least Flexible Natural Amino Acid Diamide, Ac-L-Pro-NH2, a Frequent Structural Element of b- and g-turns of Peptides and Proteins
      Tetrahedron 64, 2126 (2008).
    34. V. Stakhursky, I. Sioutis, G. Tarczay, T. A. Miller
      Computational Investigation of the Jahn-Teller Effect in the Ground and Excited States of the Tropyl Radical, Part I: Theoretical Calculation of Spectroscopically Observable Parameters
      J. Chem. Phys. 128, 084310 (2008).
    35. I. Sioutis, V. Stakhursky, G. Tarczay, T. A. Miller
      Experimental Investigation of the Jahn-Teller Effect in the Ground and Excited States of the Tropyl Radical, Part II: Vibrational Analysis of the A-X Electronic Transition
      J. Chem. Phys. 128, 084311 (2008).
    36. G. Tarczay, S. Góbi, G. Magyarfalvi, E. Vass,
      Model Peptide - Water Complexes in Ar Matrix: Complexation Induced Conformation Change and Chirality Transfer
      Vibrational Spectroscopy (invited article, Prominent Young Vibrational Spectroscopists issue), 50, 21 (2009).
    37. T. Pasinszki, M. Krebsz, G. Bazsó, G. Tarczay
      First Isolation and Spectroscopic Observation of HCNS
      Chem. Eur. J. 15, 6100 (2009).
    38. T. Beke, C. Somlai, G. Magyarfalvi, A. Perczel, G. Tarczay
      A matrix isolation study on the chiral and achiral conformational building units of b-peptides: A matrix isolation conformational study on Ac-b-Ala-NHMe and Ac-b-HAla-NHMe
      J. Phys. Chem. B 113, 7918 (2009).
    39. T. Pasinszki, G. Bazsó, M. Krebsz, G. Tarczay
      A matrix isolation and computational study of the [C, N, F, S] isomers
      Phys. Chem. Chem. Phys. in press (2009).

 

Last updated 29 May, 2009.