Ab initio calculations on the and states of AlNC and simulation of the AlNC - emission spectra. - Daniel K. W. Mok; Edmond P. F. Lee; Foo-Tim Chau; John M. Dyke (J. Comput. Chem., 2001)

DFT and ab initio calculations on two reactions between hydrogen atoms and the fire suppressants 2-H heptafluoropropane and CF3Br. - Edmond P. F. Lee; John M. Dyke; Wan-Ki Chow; Foo-Tim Chau; Daniel K. W. Mok (J. Comput. Chem., 2007)

A combined ab initio and Franck-Condon factor simulation study on the photodetachment spectrum of ScO2-. - Edmond P. F. Lee; Daniel K. W. Mok; Foo-Tim Chau; John M. Dyke (J. Comput. Chem., 2009)

High-level ab initio calculations on HGeCl and the equilibrium geometry of the Ã1A" state derived from Franck-Condon analysis of the single-vibronic-level emission spectra of HGeCl and DGeCl. - Daniel K. W. Mok; Foo-Tim Chau; Edmond P. F. Lee; John M. Dyke (J. Comput. Chem., 2010)

Franck-Condon simulation of the photoelectron spectrum of AsCl2 and the photodetachment spectrum of AsCl. - Daniel K. W. Mok; Edmond P. F. Lee; Foo-Tim Chau; John M. Dyke (J. Comput. Chem., 2011)

Development and testing of a compact basis set for use in effective core potential calculations on rhodium complexes. - Otello Maria Roscioni; Edmond P. F. Lee; John M. Dyke (J. Comput. Chem., 2012)

Rate coefficients of the CF3CHFCF3 + H → CF3CFCF3 + H2 reaction at different temperatures calculated by transition state theory with ab initio and DFT reaction paths. - Maggie Ng; Daniel K. W. Mok; Edmond P. F. Lee; John M. Dyke (J. Comput. Chem., 2013)