화학공학소재연구정보센터
검색결과 : 28건
No. Article
1 Rotational Mode Specificity in the F- + CH3I(v=0, JK) S(N)2 and Proton-Transfer Reactions
Papp P, Czako G
Journal of Physical Chemistry A, 124(43), 8943, 2020
2 High-Level-Optimized Stationary Points for the F-(H2O) + CH3I System: Proposing a New Water-Induced Double-Inversion Pathway
Olasz B, Czako G
Journal of Physical Chemistry A, 123(2), 454, 2019
3 Flame Inhibition Chemistry: Rate Coefficients of the Reactions of HBr with CH3 and OH Radicals at High Temperatures Determined by Quasiclassical Trajectory Calculations
Goger S, Szabo P, Czako G, Lendyay G
Energy & Fuels, 32(10), 10100, 2018
4 Effects of the Level of Electronic Structure Theory on the Dynamics of the F- + CH3I Reaction
Gyori T, Olasz B, Paragi G, Czako G
Journal of Physical Chemistry A, 122(13), 3353, 2018
5 Benchmark ab Initio Characterization of the Complex Potential Energy Surfaces of the X- + NH2Y [X, Y = F, CI, Br, I] Reactions
Hajdu B, Czako G
Journal of Physical Chemistry A, 122(7), 1886, 2018
6 Benchmark ab Initio Characterization of the Inversion and Retention Pathways of the OH- + CH3Y [Y = F, Cl, Br, I] S(N)2 Reactions
Tasi DA, Fabian Z, Czako G
Journal of Physical Chemistry A, 122(26), 5773, 2018
7 Mode-Specific Quasiclassical Dynamics of the F- + CH3I S(N)2 and Proton-Transfer Reactions
Olasz B, Czako G
Journal of Physical Chemistry A, 122(41), 8143, 2018
8 Benchmark ab Initio Characterization of the Complex Potential Energy Surface of the F- + CH3CH2CI Reaction
Tajti V, Czako G
Journal of Physical Chemistry A, 121(14), 2847, 2017
9 Benchmark ab Initio Characterization of the Complex Potential Energy Surface of the Cl- + CH3I Reaction
Szabo I, Czako G
Journal of Physical Chemistry A, 121(30), 5748, 2017
10 Does the Cl + CH4 -> H + CH3Cl Reaction Proceed via Walden Inversion?
Krotos L, Czako G
Journal of Physical Chemistry A, 121(49), 9415, 2017