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Miklos Fehér DSc, PhD (Physical Chemistry), MSc (Chemical Engineering), BSc

A Simple Model for the Prediction of Blood-Brain Partitioning. M. Fehér, E. Sourial and J.M. Schmidt. Int. J. Pharm. (2000) 201(2):239-247.

Ab initio Calculation of the Electrical Properties of the Ground State of PO+. M. Fehér and P.A. Martin. J. Mol. Struct. Theochem (submitted).

Multiple Flexible Alignment with SEAL: A Study of Molecules Acting on the Colchicine Binding Site. M. Fehér and J.M. Schmidt. J. Chem. Inf. Comp. Sci. (2000) 40:495-502.

Molecular Modelling Studies of Prolyl Endopeptidase Inhibitors. K. Kánai, M. Fehér, A. Lopata, B. Podányi, I. Novák, E. Susán, I. Hermecz and P. Arányi. Acta Pharm. Hung. (1999) 69:240-246.

Synthesis and Reactivity of Debenzorutaecarpine Derivatives. J. Kökösi, J. Almási, A. Kiss, P. Forgó, Z. Böcskei, M. Fehér and I. Hermecz. Acta Pharm. Hung. (1999) 69:135-146.

The study of the solution-phase conformation of the PEP-inhibitor SUAM-1221 by NMR. Podányi, S. Bokotey, K. Kánai, M. Fehér and I. Hermecz. Magn. Reson. in Chem. (1999) 37:346-352.

A 3D-QSAR analysis of prolyl endopeptidase inhibitors. M. Fehér, K. Kánai, I. Hermecz, A. Lopata and I. Novák. Quant. Struct. Act. Rel. (1999) 18:456-463.

Nitrogen Bridgehead Compounds, Part 90. An Efficient Versatile Synthesis of 1Methyl-2Substituted 1,2,3,4-Tetrahydro-6H-Pyrazino[2,1-b]Quinazoline-3,6-Diones. J. Kökösi, J. Almási, B. Podányi, M. Fehér, Z. Böcskei, K. Simon and I. Hermecz. Heterocycles (1998) 48:1851.

Probing endopeptidase inhibitors: N-acyl derivatives of l-thioproline-pyrrolidine. K. Kánai, S. Erdő, E. Susán, M. Fehér, J. Sipos, B. Podányi, A. Szappanos and I. Hermecz. Bioorg. Chem. Letters (1997) 7:1701.

Crystal and Molecular Structure of a Rimazollum Decomposition Product. Calculation of Pyramidality of Analogous Cyclic Amides. K. Simon, L. Pusztay, M. Hanusz, Z. Bocskei, B. Podanyi, M. Feher, I. Hermecz. Heterocycles (1997) 45:2175.

Conformational Analysis of Two Inhibitors of Prolyl Endopeptidase: Comparison of 4-phenyl-butyryl- and octanoyl-prolyl-pyrrolidine. M. Fehér, K. Kánai, B. Podányi and I. Hermecz. Quant. Struct. Act. Rel. (1997) 16:136.

Intracavity Photoacoustic Gas Detection wIth an External Cavity Diode Laser. Z. Bozóki, J. Sneider, G. Szabó, A. Miklós, M. Serényi, G. Nagy and M. Fehér. Appl. Phys. B (1996) 63:399.

Reconciling Theory and Experiments for SiH3NCO. T. Veszprémi, T. Pasinszki and M. Fehér. J. Organometal. Chem. (1996) 507:279.

Modern Methods in Three-dimensional Drug Design. M. Fehér. J. Neurobiology (1996) 4:479.

Optoacoustic Detection with Near-Infrared Diode Lasers: Trace-Gases and Short-Lived Molecules. M. András and M. Fehér. Infrared Physics and Technology (1996) 37:21.

The Structure of Some Alkali Pseudohalides: LiOCP, NaOCP, LiSCP and NaSCP. T. Veszprémi, T. Pasinszki and M. Fehér. Inorg. Chem. (1996) 35:2132.

Ab initio Calculation of the Electrical Properties of the X2Pg Ground State of O. M Fehér and P.A. Martin. Chem. Phys. Letters (1996) 261:23.

The Structure of Thionyl Imides - The New Isomer. T. Pasinszki, T. Veszprémi and M. Fehér. Chem. Phys. Letters (1996) 250:466.

Energy Hypersurfaces and the Born-Oppenheimer Approximation. T. Veszprémi and M. Fehér. Models in Chem. (1996) 133:193.

Nitrogen Bridgehead Compounds, Part 86. Synthesis and Reactivity of 7,12-Dihydropyrimido[1’,2’;1,2]pyrido[3,4-b]indol-4(6H)-ones. Hermecz, P. Forgó, Z. Böcskei, M. Fehér, J. Kökösi and G. Szász. J. Heterocycl. Chem. (1996) 33:799.

Application of Near-Infrared Diode Lasers in Atmospheric and On-Line Process Emission Monitoring (invited review). P.A. Martin and M. Fehér. Near-Infrared News (1996) 7:10.

Equilibrium Structure of SiH3NCO: Comparison of Theory and Experiments. M. Fehér, M.J. Smit, T. Pasinszki and T. Veszprémi. J.Phys.Chem.(1995) 99:8604.

Ab initio Calculation of the Electrical Properties of the X2Sg+ Ground and A2Pu Excited States of N2+. M. Fehér and P.A. Martin. J. Chem. Soc. Faraday Trans. (1995) 91:1063.

Tunable Diode Laser Monitoring of Atmospheric Trace Gas Constituents (invited review). M. Fehér and P.A. Martin. Spectrochim. Acta A (1995) 51:1579.

A Theoretical Study of NCNCO and Its Isomers. M. Fehér, T. Pasinszki and T. Veszprémi. Inorg. Chem. (1995) 34:945.

The Structure of Symmetrically Substituted Diimides. T. Veszprémi, T. Pasinszki and M. Fehér. J. Mol. Struct. Theochem (1995) 331:289.

CASSCF Calculations of the Multipole Moment and Dipole Polarisability Functions of the X2S+ and A2P States of CO+. P.A. Martin and M. Fehér. Chem. Phys. Letters (1995) 232:491.

Experimental and Theoretical Investigation of Photoacoustic Signal Generation by Wavelength Modulated Diode Lasers. Miklós, Z. Bozóki, Y. Jiang and M. Fehér. Appl. Phys. B (1994) 58:483.

Optoacoustic Trace-Gas Detection with Near-Infrared Diode Lasers. M. Fehér, Y. Jiang, J.P. Maier and A. Miklós. Appl. Optics (1994) 33:1655.

The Geometric and Electronic Structures of C6H and Its Ions. M. Fehér and J.P. Maier. Chem. Phys. Letters (1994) 227:371.

Infrared Laser Kinetic Spectroscopy of the H3+ Ion. M. Fehér, A. Rohrbacher and J.P. Maier. Chem. Phys. (1994) 185:357.

The Structure of Pseudohalides - The Existence of a New Isomer. T. Veszprémi, T. Pasinszki and M. Fehér. J. Am. Chem. Soc. (1994) 116:6303.

The Ab initio Structure of CH3PCO, CH3OCP and Their Sulphur and Selenium Derivatives. M. Fehér, T. Pasinszki and T. Veszprémi. J. Mol. Struct. Theochem (1994) 109:39.

An Ab initio Study of the Equilibrium Structure of Silyl Pseudohalides. M. Fehér, T. Pasinszki and T. Veszprémi. J. Phys. Chem. (1993) 97:1538.

Inexpensive Near-Infrared Diode Laser Based Detection System for Ammonia. M. Fehér. P.A. Martin, A. Soliva, A. Rohrbacher and J.P. Maier. Appl. Optics (1993) 32:2028.

Ab initio Calculations of the Properties of NO+ in its Ground Electronic State. M. Fehér and P.A. Martin. Chem. Phys. Letters (1993) 215:565.

The Structure of Beryllium Pseudohalides. T. Pasinszki, T. Veszprémi and M. Fehér. Chem. Phys. Letters (1993) 215:395.

Optoacoustic Spectroscopy of Short-Lived Molecules. M. Fehér, A. Rohrbacher, J.P. Maier and A. Miklós. Chem. Phys. Letters (1993) 211:171.

An Ab initio Study of the Geometries of Boron Pseudohalides. T. Pasinszki and T. Veszprémi and M. Fehér. Chem. Phys. Letters (1993) 207:384.

The Ab initio Equilibrium Structures of Germyl Pseudohalides. M. Fehér, T. Pasinszki and T. Veszprémi. Chem. Phys. Letters (1993) 205:123.

Infrared Diode Laser Detection of the n1 Fundamental Band of BrCN+. C. Salud, M. Fehér and T. Amano. J. Mol. Spec. (1993) 162:172.

Infrared Kinetic Spectroscopy of the Formation of CN (v=0-8). M. Fehér, A. Rohrbacher and J.P. Maier. Chem. Phys. (1993) 173:187.

The Equilibrium Conformation of Ethyl Isocyanate Revisited. M. Fehér, T. Pasinszki and T. Veszprémi. J. Am. Chem. Soc. (1993) 115:1500.

Infrared Laser Kinetic Spectroscopy in Discharges: the CN Radical (v=0-7). M. Fehér, A. Rohrbacher and J.P. Maier. J. Chem. Phys. (1993) 98:316.

Something in the Air (Detection of Atmospheric Trace Gases with Tunable Diode Lasers). M. Fehér and P.A. Martin. Chem. Brit. (1993) 29:883.

The Photoelectron Spectra of Methyl Pseudohalides. T. Pasinszki, T. Veszprémi, M. Fehér, B. Kovac, L. Klasinc and S.P. McGlynn. Int. J. Quant. Chem. (1992) 26:443.

The Equilibrium Structure of Methyl Pseudohalides: An Ab initio Study. T. Pasinszki, T. Veszprémi and M. Fehér. Chem. Phys. Letters (1992) 189:245.

Calculated Spectroscopic Properties of CCCN and CCNC. M. Fehér. Chem. Phys. Letters (1992) 188:609.

Infrared Laser Spectroscopy of CNC+. M. Fehér, C. Salud and J.P. Maier. J. Chem. Phys. (1991) 94:5377.

Photoelectron Spectroscopic Studies of the Silicon Pseudohalides: Relationship between Geometrical and Electronic Structure. T. Veszprémi, T. Pasinszki and M. Fehér. J. Chem. Soc. Faraday (1991) 87:3805.

On the J-Assignment of the Infrared Laser Spectrum of CCN. M. Fehér, C. Salud, J.P. Maier and A.J. Merer. J. Mol. Spec. (1991) 150:280.

The Infrared Laser Spectrum of the n1 Band of CCN. M. Fehér, C. Salud and J.P. Maier. J. Mol. Spec. (1991) 145:246.

An Investigation of the SO(X3S-) Molecule by Multiphoton Ionization Spectroscopy. M. Barnes, J. Baker, J.M. Dyke, M. Fehér and A. Morris. Mol. Phys. (1991) 74:689.

Chemielectron Spectroscopy of Some Metal Oxidation Reactions. M.C.R. Cockett, J.M. Dyke, A.M. Ellis, M. Fehér and T.G. Wright. J. Elec. Spec. (1990) 51:529.

Photoelectron Spectroscopy of Unstable Molecules. J. Baker, M. Barnes, M.C.R. Cockett, J.M. Dyke, A.M. Ellis, M. Fehér, E.P.F. Lee, A. Morris and H. Zamanpour. J. Elec. Spec. (1990) 51:487.

The Infrared Laser Spectrum of the n3 Band of OCS+. M. Fehér, C. Salud, M. Rösslein and J.P. Maier. J. Mol. Spec. (1990) 141:167.

Chemielectron Spectroscopy: A Study of the Ce + O2 Reaction. M.C.R. Cockett, J.M. Dyke, A.M. Ellis, M. Fehér and A. Morris. J. Am. Chem. Soc. (1989) 111:5994.

Photoelectron Spectroscopy of Reactive Intermediates. V. Butcher, M.C.R. Cockett, J.M. Dyke, A.M. Ellis, M. Fehér, A. Morris and H. Zamanpour. Phil. Trans. Roy. Soc. (1988) A324:197.

High Temperature Photoelectron Spectroscopy: A Study of U, UO and UO2. G.C. Allen, E.J. Baerends, P. Vernooijs, J.M. Dyke, A.M. Ellis, M. Fehér and A. Morris. J. Chem. Phys. (1988) 89:5363.

Chemielectron Spectroscopy: A Study of the Gas-Phase Reactions of Uranium with O2 and N2O. J.M. Dyke, A.M. Ellis, M. Fehér and A. Morris. Chem. Phys. Letters (1988) 145:159.

High Temperature Photoelectron Spectroscopy: A Study of the Alkaline Earth Oxides SrO and BaO. J.M. Dyke, M. Fehér, B.W.J. Gravenor and A. Morris. J. Phys. Chem. (1987) 91:4476.

High Temperature Photoelectron Spectroscopy: A Study of Niobium Monoxide and Tantalum Monoxide. J.M. Dyke, A.M. Ellis, M. Fehér, A. Morris, A.J. Paul and J.C.H. Stevens. J. Chem. Soc. Faraday 2, (1987) 83:1555.

High Temperature Photoelectron Spectroscopy: Al2O and Al. J.M. Dyke, M. Fehér, M.P. Hastings, A. Morris and A.J. Paul. Mol. Phys. (1986) 58:161.

High Temperature Photoelectron Spectroscopy: A Study of the Alkali Monohydroxides LiOH, NaOH and KOH. J.M. Dyke, M. Fehér and A. Morris. J. Elec. Spec. (1986) 41:343.

Theoretical Study of the UV Spectra of Disilanes. T. Veszprémi, M. Fehér, E. Zimonyi and J. Nagy. Acta Chimica Hungarica (1985) 120:153.


Book:

Quantum Chemistry: Fundamentals to Applications. T. Veszprémi and M. Fehér, Kluwer Academic/Plenum Publishing, Dordrecht, 1999 (ISBN 0-306-46164-1).

Page Last Updated: June 30, 2000

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