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Elemi reakciók dinamikájának és kinetikájának elméleti vizsgálata
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Ezen az oldalon az NKFI Elektronikus Pályázatkezelő Rendszerében nyilvánosságra hozott projektjeit tekintheti meg.
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Közleményjegyzék |
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E. Garcia, A. Saracibar, A. Rodriguez, A. Laganà, G. Lendvay: Calculated versus measured product distributions of the OH+D2 reaction, Mol. Phys. 104, 839-846 (2006), 2006 | Z. Valicsek, G. Lendvay and O. Horváth: Equilibrium, photophysical, photochemical and quantum chemical examination of anionic mercury(II) mono- and bisporphyrins, J. Phys. Chem. B, 112, 14500–14508 (2008), 2008 | S. Y. Lin, H. Guo, G. Lendvay, D. Xie: Effects of reactant rotational excitation on H + O2 -: OH + O reaction rate constant: quantum wave packet, quasi-classical trajectory and phase space theory calculations, Phys. Chem. Chem. Phys. (közlésre elfogadva), 2009 | R. Kosztyu, G. Lendvay: Testing the performance of density functionals for the calculation of energetic properties of complex-forming radical-molecule reactions, React. Kin. Catal. L. (közlésre elfogadva), 2009 | Á. Bencsura, G. Lendvay: Bimolecular reactions of vibrationally excited molecules. Roaming atom mechanism at low kinetic energies, J. Phys. Chem. A (közlésre benyújtva), 2009 | W. Hu, G.Lendvay, D. Troya, G. C. Schatz, J. P. Camden, H. A. Bechtel, D. J. A. Brown, M. R. Martin, R. N. Zare: H + CD4 Abstraction Reaction Dynamics: Product Energy Partitioning, J. Phys. Chem. A 110, 3017-3027 (2006), 2006 | J. P. Camden, W. Hu, H.A. Bechtel, D. J. A. Brown, M. R. Martin, R. N. Zare, G. Lendvay, D. Troya, G. C. Schatz: H + CD4 Abstraction Reaction Dynamics: Excitation Function and Angular Distributions, J. Phys. Chem. A110, 677-686 (2006), 2006 | A. Van Wyngarden, K. A. Mar, K. Boering, J. J. Lin, Y. T. Lee, S. Y. Lin, H. Guo, G. Lendvay: Non-statistical Behavior of Reactive Scattering in the 18O+32O2 Isotope Exchange Reaction, J. Am. Chem. Soc. 2866-2870 (2007), 2007 | D. Xie, C. Xu, T.-S. Ho, H. Rabitz, G. Lendvay, S. Y. Lin, H. Guo: Global analytical potential energy surfaces for HO2(~X2 A' ) based on high level ab initio calculations, J. Chem. Phys. 074315 8pp, 2007 | G. Kovács, J. Zádor, E. Farkas, R. Nádasdi, I. Szilágyi, S. Dóbé, T. Bérces, F. Márta, G. Lendvay: Kinetics and mechanism of the reactions of CH3CO and CH3C(O)CH2 radicals with O2. Low-pressure discharge flow experiments and quantum chemical computations, Phys. Chem. Chem. Phys. 9, 4142–4154 (2007), 2007 | W. Hu, G. Lendvay, B. Maiti, G.C. Schatz: A trajectory surface hopping study of the O(3P) + ethylene reaction dynamics, J. Phys. Chem. A, 112, 2093-2103 (2008), 2008 | G. Lendvay, D. Xie, H. Guo: Mechanistic insights into the H + O2 -> OH + O reaction from quasi-classical trajectory studies on a new ab initio potential energy surface, Chem. Phys. 349, 181-187 (2008), 2008 | E. Szabó-Bárdos, Z. Zsilák, G. Lendvay, O. Horváth, O. Markovics, A. Hoffer, N. Törő: Photocatalytic degradation of 1,5-naphthalenedisulfonate on colloidal titanium dioxide, J. Phys. Chem. B 112, 14500-14508 (2008), 2008 | Z. Sun, D.H. Zhang, C Xu, S. Zhou, D. Xie, G. Lendvay, S.-.Y Lee, S. Y. Lin, H. Guo: State-to-State Dynamics of H + O2 Reaction, Evidence for Nonstatistical Behavior, J. Am. Chem. Soc.; 130, 14962–14963 (2008), 2008 | G. Lendvay: A modern reakciódinamika és John. C. Polanyi, A kémia újabb eredményei 100. kötet, Akadémiai Kiadó, Budapest, 2008, 2008 |
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