Gábor Czakó
Gábor Czakó
Associate Professor of Chemistry, University of Szeged
Verified email at chem.u-szeged.hu - Homepage
Title
Cited by
Cited by
Year
High-dimensional ab initio potential energy surfaces for reaction dynamics calculations
JM Bowman, G Czako, B Fu
Physical Chemistry Chemical Physics 13 (18), 8094-8111, 2011
2382011
On equilibrium structures of the water molecule
AG Császár, G Czakó, T Furtenbacher, J Tennyson, V Szalay, SV Shirin, ...
The Journal of chemical physics 122 (21), 214305, 2005
1962005
The fourth age of quantum chemistry: molecules in motion
AG Csaszar, C Fabri, T Szidarovszky, E Matyus, T Furtenbacher, G Czako
Physical Chemistry Chemical Physics 14 (3), 1085-1106, 2012
1922012
Toward black-box-type full-and reduced-dimensional variational (ro) vibrational computations
E Mátyus, G Czakó, AG Császár
The Journal of chemical physics 130 (13), 134112, 2009
1852009
Quasiclassical trajectory calculations of correlated product distributions for the reactions using an ab initio potential energy surface
G Czakó, JM Bowman
The Journal of chemical physics 131 (24), 244302, 2009
1802009
Dynamics of the reaction of methane with chlorine atom on an accurate potential energy surface
G Czakó, JM Bowman
Science 334 (6054), 343-346, 2011
1602011
Accurate ab initio potential energy surface, dynamics, and thermochemistry of the reaction
G Czakó, BC Shepler, BJ Braams, JM Bowman
The Journal of chemical physics 130 (8), 084301, 2009
1282009
Revealing a double-inversion mechanism for the F−+ CH 3 Cl SN 2 reaction
I Szabó, G Czakó
Nature communications 6 (1), 1-6, 2015
1072015
Vibrational energy levels with arbitrary potentials using the Eckart-Watson Hamiltonians and the discrete variable representation
E Matyus, G Czako, BT Sutcliffe, AG Csaszar
The Journal of chemical physics 127 (8), 084102, 2007
1022007
CH Stretching Excitation Steers the F Atom to the CD Bond in the F + CHD3 Reaction
G Czakó, JM Bowman
Journal of the American Chemical Society 131 (48), 17534-17535, 2009
992009
Theoretical Study of the Validity of the Polanyi Rules for the Late-Barrier Cl + CHD3 Reaction
Z Zhang, Y Zhou, DH Zhang, G Czakó, JM Bowman
The journal of physical chemistry letters 3 (23), 3416-3419, 2012
972012
Ab-initio-based potential energy surfaces for complex molecules and molecular complexes
JM Bowman, BJ Braams, S Carter, C Chen, G Czakó, B Fu, X Huang, ...
The Journal of Physical Chemistry Letters 1 (12), 1866-1874, 2010
942010
Influence of the leaving group on the dynamics of a gas-phase SN 2 reaction
M Stei, E Carrascosa, MA Kainz, AH Kelkar, J Meyer, I Szabó, G Czakó, ...
Nature chemistry 8 (2), 151-156, 2016
912016
Experimental and theoretical investigations of energy transfer and hydrogen-bond breaking in the water dimer
LC Ch’ng, AK Samanta, G Czakó, JM Bowman, H Reisler
Journal of the American Chemical Society 134 (37), 15430-15435, 2012
892012
Reaction dynamics of methane with F, O, Cl, and Br on ab initio potential energy surfaces
G Czako, JM Bowman
The Journal of Physical Chemistry A 118 (16), 2839-2864, 2014
872014
A practical method to avoid zero-point leak in molecular dynamics calculations: Application to the water dimer
G Czako, AL Kaledin, JM Bowman
The Journal of chemical physics 132 (16), 164103, 2010
872010
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 …
R Liu, M Yang, G Czakó, JM Bowman, J Li, H Guo
The journal of physical chemistry letters 3 (24), 3776-3780, 2012
822012
Dynamics of the O (3P)+ CHD3 (vCH= 0, 1) reactions on an accurate ab initio potential energy surface
G Czakó, JM Bowman
Proceedings of the National Academy of Sciences 109 (21), 7997-8001, 2012
822012
Accurate ab initio potential energy surface, thermochemistry, and dynamics of the Cl(2P, 2P3/2) + CH4 → HCl + CH3 and H + CH3Cl reactions
G Czakó, JM Bowman
The Journal of chemical physics 136 (4), 044307, 2012
772012
Rotational mode specificity in the Cl + CHD3 → HCl + CD3 reaction
R Liu, F Wang, B Jiang, G Czakó, M Yang, K Liu, H Guo
The Journal of chemical physics 141 (7), 074310, 2014
742014
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Articles 1–20