Ke-Li Han
Orcid: 0000-0001-9239-1827
According to our database1,
Ke-Li Han
authored at least 10 papers
between 2007 and 2014.
Collaborative distances:
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Bibliography
2014
The photoisomerization of 11-<i>cis</i>-retinal protonated schiff base in gas phase: Insight from spin-flip density functional theory.
J. Comput. Chem., 2014
2013
A simple but effective modeling strategy for structural properties of non-heme Fe(II) sites in proteins: Test of force field models and application to proteins in the AlkB family.
J. Comput. Chem., 2013
2011
J. Comput. Chem., 2011
Density functional theory study on electron and hole transport properties of organic pentacene derivatives with electron-withdrawing substituent.
J. Comput. Chem., 2011
2010
TD-DFT study on the sensing mechanism of a fluorescent chemosensor for fluoride: Excited-state proton transfer.
J. Comput. Chem., 2010
Non-Born-Oppenheimer dynamics calculations using the coherent switching with decay of mixing method.
J. Comput. Chem., 2010
2009
Global dynamics and transition state theories: Comparative study of reaction rate constants for gas-phase chemical reactions.
J. Comput. Chem., 2009
2008
Time-dependent density functional theory study on hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile in methanol.
J. Comput. Chem., 2008
Theoretical study on the structure and formation mechanism of [C<sub>6</sub>H<sub>5</sub>M<sub><i>m</i></sub>]<sup>-</sup> (M-Ag, Au; <i>m</i> = 1-3).
J. Comput. Chem., 2008
2007
A theoretical investigation of the excited states of OCLO radical, cation, and anion using the CASSCF/CASPT2 method.
J. Comput. Chem., 2007