Scattering of larger molecules - part 2: general discussion by Aoiz, F. Javier, Balucani, Nadia, Bergeat, Astrid, Butler, Alexander, Chandler, David W, Czakó, Gábor, Gy ri, Tibor, Heard, Dwayne E, Heathcote, David, Heazlewood, Brianna R, Hertl, Nils, Jambrina, Pablo G, Kaiser, Ralf I, Krohn, Olivia A, Le Duc, Viet, Loreau, Jérôme, Mackenzie, Stuart R, McKendrick, Kenneth G, Meyer, Jennifer, Nathanson, Gilbert M, Neumark, Daniel M, Pandey, Rahul, Reilly, Christopher, Robertson, Patrick, Schatz, George C, Sibener, Steven J, Suits, Arthur G, Watson, Peter D, Wester, Roland, Willitsch, Stefan, Wodtke, Alec M, Zhao, Bum Suk

Get full text

Quasiclassical Trajectory Study of the Rotational Mode Specificity in the O( super(3)P) + CHD sub(3)(v sub(1) = 0, 1, JK) arrow right OH + CD sub(3) Reactions by Czako, Gabor

Get full text

Rotational Mode Specificity in the F super(-) + CH sub(3)Y [Y = F and Cl] S sub(N)2 Reactions by Szabo, Istvan, Czako, Gabor

Get full text

Gaussian Binning of the Vibrational Distributions for the Cl + CH sub(4)(v sub(4/2) = 0, 1) arrow right H + CH sub(3)Cl(n sub(1)n sub(2 )n sub(3)n sub(4)n sub(5)n sub(6)) Reactions by Czako, Gabor

Get full text

Vibrational mode-specific dynamics of the F− + CH3CH2Cl multi-channel reaction by Tajti, Viktor, Czakó, Gábor

Get full text

Vibrational mode-specific quasi-classical trajectory studies for the two-channel HI + C2H5 reaction by Yin, Cangtao, Czakó, Gábor

Get full text

Theoretical vibrational mode-specific dynamics studies for the HBr + C2H5 reaction by Yin, Cangtao, Czakó, Gábor

Get full text

Gaussian binning of the vibrational distributions for the Cl + CH4(v(4/2) = 0, 1) → H + CH3Cl(n(1)n(2)n(3)n(4)n(5)n(6)) reactions by Czakó, Gábor

Get full text

Double-Inversion Mechanisms of the X super(-) + CH sub(3)Y [X,Y = F, Cl, Br, I] S sub(N)2 Reactions by Szabo, Istvan, Czako, Gabor

Get full text

Full-dimensional automated potential energy surface development and detailed dynamics for the CH2OO + NH3 reaction by Yin, Cangtao, Czakó, Gábor

Get full text

Automated full-dimensional potential energy surface development and quasi-classical dynamics for the HI(X1Σ+) + C2H5 → I(2P3/2) + C2H6 reaction by Yin, Cangtao, Czakó, Gábor

Get full text

Competition between the H-abstraction and the X-abstraction pathways in the HX (X = Br, I) + C2H5 reactions by Yin, Cangtao, Czakó, Gábor

Get full text

Automating the Development of High-Dimensional Reactive Potential Energy Surfaces with the robosurfer Program System by Győri, Tibor, Czakó, Gábor

Get full text

Dynamics of the Reaction of Methane with Chlorine Atom on an Accurate Potential Energy Surface by Czakó, Gábor, Bowman, Joel M.

Get full text

Accurate ab initio potential energy surface, thermochemistry, and dynamics of the Br(2P, 2P(3∕2)) + CH4 → HBr + CH3 reaction by Czako, Gabor

Get full text

Full-dimensional potential energy surface development and dynamics for the HBr + C2H5 → Br(2P3/2) + C2H6 reaction by Yin, Cangtao, Tajti, Viktor, Czakó, Gábor

Get full text

ManyHF: A pragmatic automated method of finding lower-energy Hartree–Fock solutions for potential energy surface development by Győri, Tibor, Czakó, Gábor

Get full text

Alternating Stereospecificity upon Central‐Atom Change: Dynamics of the F−+PH2Cl SN2 Reaction Compared to its C‐ and N‐Centered Analogues by Giricz, Anett, Czakó, Gábor, Papp, Dóra

Get full text

Unconventional SN2 retention pathways induced by complex formation: High-level dynamics investigation of the NH2− + CH3I polyatomic reaction by Tasi, Domonkos A., Czakó, Gábor

Get full text

High-level ab initio characterization of the OH + CH3NH2 reaction by Gruber, Balázs, Czakó, Gábor

Get full text