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Kyoyeon Park
Kyoyeon Park
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Year
Classical trajectory simulations of post-transition state dynamics
U Lourderaj, K Park, WL Hase
International Reviews in Physical Chemistry 27 (3), 361-403, 2008
1622008
A refined MS-EVB model for proton transport in aqueous environments
K Park, W Lin, F Paesani
The Journal of Physical Chemistry B 116 (1), 343-352, 2011
992011
Application of adaptive QM/MM methods to molecular dynamics simulations of aqueous systems
K Park, AW Götz, RC Walker, F Paesani
Journal of chemical theory and computation 8 (8), 2868-2877, 2012
672012
Importance of shattering fragmentation in the surface-induced dissociation of protonated octaglycine
K Park, B Deb, K Song, WL Hase
Journal of the American Society for Mass Spectrometry 20 (6), 939-948, 2009
512009
Use of a single trajectory to study product energy partitioning in unimolecular dissociation: Mass effects for halogenated alkanes
L Sun, K Park, K Song, DW Setser, WL Hase
The Journal of chemical physics 124 (6), 064313, 2006
502006
An ab initio direct dynamics simulation of protonated glycine surface-induced dissociation
K Park, K Song, WL Hase
International Journal of Mass Spectrometry 265 (2), 326-336, 2007
422007
Fast and slow proton transfer in ice: The role of the quasi-liquid layer and hydrogen-bond network
K Park, W Lin, F Paesani
The Journal of Physical Chemistry B 118 (28), 8081-8089, 2014
342014
Algorithms for Sampling a Quantum Microcanonical Ensemble of Harmonic Oscillators at Potential Minima and Conical Intersections
K Park, J Engelkemier, M Persico, P Manikandan, WL Hase
The Journal of Physical Chemistry A 115 (24), 6603-6609, 2011
332011
O(3P) + C2H4 Potential Energy Surface: Study at the Multireference Level
AC West, JS Kretchmer, B Sellner, K Park, WL Hase, H Lischka, ...
The Journal of Physical Chemistry A 113 (45), 12663-12674, 2009
322009
Direct dynamics simulation of dioxetane formation and decomposition via the singlet ·O–O–CH2–CH2· biradical: Non-RRKM dynamics
R Sun, 孙睿, K Park, 박교연, WA de Jong, H Lischka, TL Windus, WL Hase
The Journal of chemical physics 137 (4), 044305, 2012
282012
Singlet and triplet potential surfaces for the reaction
K Park, A West, E Raheja, B Sellner, H Lischka, TL Windus, WL Hase
The Journal of chemical physics 133 (18), 184306, 2010
222010
Adaptive QM/MM method in AMBER: Molecular dynamics simulations of aqueous systems
K Park, F Paesani
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012
2012
O plus ethylene potential energy surface: Theoretical study at the MCSCF and MRMP2 levels
AC West, JS Kretchmer, K Park, H Lischka, WL Hase, TL Windus
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 238, 2009
2009
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