| 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 | 304 | 2011 |
| 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 | 240 | 2012 |
| 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), 2009 | 240 | 2009 |
| 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), 2005 | 223 | 2005 |
| Quasiclassical trajectory calculations of correlated product distributions for the F+ CHD3 (v1=, 1) reactions using an ab initio potential energy surface G Czakó, JM Bowman The Journal of chemical physics 131 (24), 2009 | 212 | 2009 |
| 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 | 190 | 2011 |
| Revealing a double-inversion mechanism for the F−+CH3Cl SN2 reaction I Szabó, G Czakó Nature communications 6 (1), 5972, 2015 | 156 | 2015 |
| Influence of the leaving group on the dynamics of a gas-phase SN2 reaction M Stei, E Carrascosa, MA Kainz, AH Kelkar, J Meyer, I Szabó, G Czakó, ... Nature chemistry 8 (2), 151-156, 2016 | 140 | 2016 |
| Accurate ab initio potential energy surface, dynamics, and thermochemistry of the F+ CH4→ HF+ CH3 reaction G Czakó, BC Shepler, BJ Braams, JM Bowman The Journal of chemical physics 130 (8), 2009 | 139 | 2009 |
| 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 | 118 | 2012 |
| 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 | 115 | 2012 |
| 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 | 112 | 2009 |
| 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 | 111 | 2014 |
| 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 | 110 | 2010 |
| 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), 2007 | 110 | 2007 |
| 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), 2010 | 102 | 2010 |
| 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 | 92 | 2012 |
| An active database approach to complete rotational–vibrational spectra of small molecules AG Császár, G Czakó, T Furtenbacher, E Mátyus Annual Reports in Computational Chemistry 3, 155-176, 2007 | 88 | 2007 |
| 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), 2014 | 87 | 2014 |
| 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 | 85 | 2012 |
Joel BowmanProfessor of Chemistry, Emory Universityemory.edu의 이메일 확인됨
