Jaebeom Han
Jaebeom Han
Verified email at udel.edu
Title
Cited by
Cited by
Year
Temperature-dependent growth of carbon nanotubes by pyrolysis of ferrocene and acetylene in the range between 700 and 1000 C
YT Lee, NS Kim, J Park, JB Han, YS Choi, H Ryu, HJ Lee
Chemical physics letters 372 (5-6), 853-859, 2003
1662003
Vertically aligned carbon nanotubes grown by pyrolysis of iron, cobalt, and nickel phthalocyanines
NS Kim, YT Lee, J Park, JB Han, YS Choi, SY Choi, J Choo, GH Lee
The Journal of Physical Chemistry B 107 (35), 9249-9255, 2003
1372003
Nitrile and thiocyanate IR probes: Molecular dynamics simulation studies
KI Oh, JH Choi, JH Lee, JB Han, H Lee, M Cho
The Journal of chemical physics 128 (15), 154504, 2008
1212008
Classical and quantum mechanical/molecular mechanical molecular dynamics simulations of alanine dipeptide in water: Comparisons with IR and vibrational circular dichroism spectra
K Kwac, KK Lee, JB Han, KI Oh, M Cho
The Journal of chemical physics 128 (10), 03B606, 2008
862008
Explicit polarization (X-Pol) potential using ab initio molecular orbital theory and density functional theory
L Song, J Han, Y Lin, W Xie, J Gao
The Journal of Physical Chemistry A 113 (43), 11656-11664, 2009
542009
Phenol-benzene complexation dynamics: Quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy
K Kwac, C Lee, Y Jung, J Han, K Kwak, J Zheng, MD Fayer, M Cho
The Journal of chemical physics 125 (24), 244508, 2006
532006
Quantum mechanical force field for water with explicit electronic polarization
J Han, MJM Mazack, P Zhang, DG Truhlar, J Gao
The Journal of chemical physics 139 (5), 054503, 2013
402013
Site-Specific Hydrogen-Bonding Interaction between N-Acetylproline Amide and Protic Solvent Molecules:  Comparisons of IR and VCD Measurements with MD …
KI Oh, J Han, KK Lee, S Hahn, H Han, M Cho
The Journal of Physical Chemistry A 110 (50), 13355-13365, 2006
312006
Optimization of the explicit polarization (X-Pol) potential using a hybrid density functional
J Han, DG Truhlar, J Gao
Theoretical chemistry accounts 131 (3), 1-15, 2012
202012
First-principles calculations of oxidation potentials of electrolytes in lithium–sulfur batteries and their variations with changes in environment
J Han, PB Balbuena
Physical Chemistry Chemical Physics 20 (27), 18811-18827, 2018
42018
Calculated Reduction Potentials of Electrolyte Species in Lithium–Sulfur Batteries
J Han, Y Zheng, N Guo, PB Balbuena
The Journal of Physical Chemistry C 124 (38), 20654-20670, 2020
12020
On the Interplay between Electronic Structure and Polarizable Force Fields When Calculating Solution-Phase Charge-Transfer Rates
J Han, P Zhang, H Aksu, B Maiti, X Sun, E Geva, BD Dunietz, MS Cheung
Journal of Chemical Theory and Computation 16 (10), 6481-6490, 2020
2020
Computational Study on Oxidation Potential Variations of Electrolytes with Complexation in Lithium-Sulfur (Li/S) Batteries
J Han, PB Balbuena
ECS Meeting Abstracts, 178, 2018
2018
Development of polarizable methods for molecular mechanics simulations
J Han
2014
Enzyme simulation of the MOVB method
J Han, A Cembran, J Gao
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012
2012
Supplementary Material for Quantum Mechanical Force Field for Water with Explicit Electronic Polarization
J Han, MJM Mazack, P Zhang, DG Truhlar, J Gao
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Articles 1–16