Items where Author is "Czakó, Gábor"

Article

Czakó, Gábor (2019) Alapvető kémiai reakciók dinamikájának és mechanizmusainak vizsgálata. MAGYAR KÉMIAI FOLYÓIRAT - KÉMIAI KÖZLEMÉNYEK (1997-), 125 (3). pp. 100-104. ISSN 1418-9933

Pan, Huilin and Wang, Fengyan and Czakó, Gábor and Liu, Kopin (2017) Direct mapping of the angle-dependent barrier to reaction for Cl + CHD3 using polarized scattering data. NATURE CHEMISTRY. pp. 1-6. ISSN 1755-4330

Szabó, István and Czakó, Gábor (2017) Benchmark ab Initio Characterization of the Complex Potential Energy Surface of the Cl− + CH3I Reaction. JOURNAL OF PHYSICAL CHEMISTRY A, 121. pp. 5748-5757. ISSN 1089-5639

Szabó, István and Olasz, Balázs and Czakó, Gábor (2017) Deciphering Front-Side Complex Formation in SN2 Reactions via Dynamics Mapping. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 8. pp. 2917-2923. ISSN 1948-7185

Tajti, Viktor and Czakó, Gábor (2017) Benchmark ab Initio Characterization of the Complex Potential Energy Surface of the F− + CH3CH2Cl Reaction. JOURNAL OF PHYSICAL CHEMISTRY A, 121. pp. 2847-2854. ISSN 1089-5639

Olasz, Balázs and Szabó, István and Czakó, Gábor (2017) High-level ab initio potential energy surface and dynamics of the F- + CH3I SN2 and proton-transfer reactions. Chemical Science, 8. pp. 3164-3170. ISSN 2041-6520

Szabó, István and Czakó, Gábor (2016) Mode-specific multi-channel dynamics of the F− + CHD2Cl reaction on a global ab initio potential energy surface. JOURNAL OF CHEMICAL PHYSICS, 145. p. 134303. ISSN 0021-9606

Stei, Martin and Carrascosa, Eduardo and Kainz, Martin A. and Kelkar, Aditya H. and Meyer, Jennifer and Szabó, István and Czakó, Gábor and Wester, Roland (2016) Influence of the leaving group on the dynamics of a gas-phase SN2 reaction. NATURE CHEMISTRY, 8 (2). pp. 151-156. ISSN 1755-4330

Wang, Yan and Song, Hongwei and Szabó, István and Czakó, Gábor and Guo, Hua and Yang, Minghui (2016) Mode-Specific SN2 Reaction Dynamics. Journal of Physical Chemistry Letters, 7 (17). pp. 3322-3327. ISSN 1948-7185

Szabó, I. and Telekes, H. and Czakó, Gábor (2015) Accurate ab initio potential energy surface, thermochemistry, and dynamics of the F- + CH<inf>3</inf>F S<inf>N</inf>2 and proton-abstraction reactions. JOURNAL OF CHEMICAL PHYSICS, 142 (24). p. 244301. ISSN 0021-9606

Zhang, Bailin and Liu, Kopin and Czakó, Gábor (2015) Correlated Dynamics of the O(P-3) + CHD3(v=0) Reaction : A Joint Crossed-Beam and Quasiclassical Trajectory Study. JOURNAL OF PHYSICAL CHEMISTRY A, 119 (28). pp. 7190-7196. ISSN 1089-5639

Szabó, I. and Czakó, Gábor (2015) Double-inversion mechanisms of the X- + CH3Y [X,Y = F, Cl, Br, I] SN2 reactions. JOURNAL OF PHYSICAL CHEMISTRY A, 119 (12). pp. 3134-3140. ISSN 1089-5639

Wang, Hongyan and Qiu, Yudong and Czakó, Gábor and Schaefer, Henry F. (2015) Pathways for the OH + Cl<inf>2</inf> → HOCl + Cl and HOCl + Cl → HCl + ClO Reactions. JOURNAL OF PHYSICAL CHEMISTRY A, 119 (28). pp. 7802-7809. ISSN 1089-5639

Szabó, István and Czakó, Gábor (2015) Revealing a double-inversion mechanism for the F- + CH3Cl S(N)2 reaction. NATURE COMMUNICATIONS, 6. p. 5972. ISSN 2041-1723

Szabó, István and Czakó, Gábor (2015) Rotational Mode Specificity in the F− + CH3Y [Y = F and Cl] SN2 Reactions. The Journal of Physical Chemistry A.

Czakó, Gábor and Bowman, Joel (2014) Reaction dynamics of methane with F, O, Cl, and Br on ab initio potential energy surfaces. JOURNAL OF PHYSICAL CHEMISTRY A, 118. pp. 2839-2864. ISSN 1089-5639

Czakó, Gábor (2014) Quasiclassical Trajectory Study of the Rotational Mode Specificity in the O(P-3) + CHD3(v(1)=0, 1, JK) -> OH + CD3 Reactions. JOURNAL OF PHYSICAL CHEMISTRY A, 118 (50). pp. 11683-11687. ISSN 1089-5639

Liu, Rui and Yang, Minghui and Czakó, Gábor and Bowman, Joel and Li, Jun and Guo, Hua (2012) Mode Selectivity for a "Central" Barrier Reaction: Eight-Dimensional Quantum Studies of the O(3P) + CH4 --> OH + CH3 Reaction on an Ab Initio Potential Energy Surface. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 3. pp. 3776-3780. ISSN 1948-7185

Czakó, Gábor and Bowman, Joel (2012) Dynamics of the O(3P) + CHD3(vCH = 0,1) reactions on an accurate ab initio potential energy surface. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 109. pp. 7997-8001. ISSN 0027-8424

Császár, Attila and Fábri, Csaba and Szidarovszky, Tamás and Mátyus, Edit and Furtenbacher, Tibor and Czakó, Gábor (2012) The fourth age of quantum chemistry: molecules in motion. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 14. pp. 1085-1106. ISSN 1463-9076

Czakó, Gábor and Bowman, Joel (2011) Dynamics of the Reaction of Methane with Chlorine Atom on an Accurate Potential Energy Surface. SCIENCE, 334. pp. 343-346. ISSN 0036-8075

Monograph

Császár, Attila Géza and Czakó, Gábor and Czinki, Eszter and Furtenbacher, Tibor (2009) Kis molekulák adatbázis alapú teljes spektroszkópiája = Database approach to the complete spectroscopy of small molecules. Project Report. OTKA.