Chia-Chung Sun
According to our database1,
Chia-Chung Sun
authored at least 38 papers
between 2001 and 2011.
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Bibliography
2011
Alkali metal atom-aromatic ring: A novel interaction mode realizes large first hyperpolarizabilities of M@AR (M = Li, Na, and K, AR = pyrrole, indole, thiophene, and benzene).
J. Comput. Chem., 2011
Evolution of lone pair of excess electrons inside molecular cages with the deformation of the cage in e<sub>2</sub>@C<sub>60</sub>F<sub>60</sub> systems.
J. Comput. Chem., 2011
2010
Excess electron is trapped in a large single molecular cage C<sub>60</sub>F<sub>60</sub>.
J. Comput. Chem., 2010
2009
J. Comput. Chem., 2009
Conformational transition pathway in the allosteric process of calcium-induced recoverin: Molecular dynamics simulations.
J. Comput. Chem., 2009
2008
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
Theoretical study and rate constant calculation for reaction of CF<sub>3</sub>CH<sub>2</sub>OH with OH.
J. Comput. Chem., 2007
Theoretical study on the methyl radical with chlorinated methyl radicals CH<sub>3-<i>n</i></sub>Cl<i><sub>n</sub></i> (<i>n</i> = 1, 2, 3) and CCl<sub>2</sub>.
J. Comput. Chem., 2007
Structural and electronic properties of boron-doped lithium clusters: Ab initio and DFT studies.
J. Comput. Chem., 2007
Electronic properties of tricoordinated phosphorus in hexagonal phosphininium compounds and molecular aromaticity.
J. Comput. Chem., 2007
2006
Ab initio studies on isomers of macropolyhedral borane ions [B20H18]n (n = 0, -2, -4).
J. Comput. Chem., 2006
J. Comput. Chem., 2006
Theoretical mechanistic study on the radical-molecule reaction of CHCl2/CCl3 with NO2.
J. Comput. Chem., 2006
J. Comput. Chem., 2006
J. Comput. Chem., 2006
J. Comput. Chem., 2006
Theoretical mechanistic study on the radical-molecule reactions of cyanomethylidyne with PH3, H2S, and HCl.
J. Comput. Chem., 2006
2005
J. Comput. Chem., 2005
Theoretical study on the reaction mechanism of the methyl radical with nitrogen oxides.
J. Comput. Chem., 2005
Theoretical study and rate constant calculation for the reactions of SH (SD) with Cl2, Br2, and BrCl.
J. Comput. Chem., 2005
J. Comput. Chem., 2005
2004
Theoretical study on reaction mechanism of the fluoromethylene radical with nitrogen dioxide.
J. Comput. Chem., 2004
J. Comput. Chem., 2004
Direct ab initio dynamics studies on the hydrogen-abstraction reactions of OH radicals with HOX (X = F, Cl, and Br).
J. Comput. Chem., 2004
J. Comput. Chem., 2004
J. Comput. Chem., 2004
Comput. Biol. Chem., 2004
2003
Dual-level direct dynamics studies for the reactions of dimethyl ether with hydrogen atom and methyl radical.
J. Comput. Chem., 2003
2002
DFT and Ab initio direct dynamics studies on the hydrogen abstraction reactions of chlorine atoms with CH4-nFn (n = 1-3).
J. Comput. Chem., 2002
Direct ab initio dynamics study on the rate constants and kinetic isotope effect for the reactions of H atoms with GeDn(CH3)4-n (n = 1-4).
J. Comput. Chem., 2002
J. Comput. Chem., 2002
J. Comput. Chem., 2002
2001
J. Comput. Chem., 2001