A DFT/TDDFT Study of Lanthanide(III) Mono- and Bis-Porphyrin Complexes

Tekijä Liao, Meng-Sheng, Watts, John D., Huang, Ming-Ju
Julkaistu 2006

Iron Porphyrins with Different Imidazole Ligands. A Theoretical Comparative Study

Tekijä Liao, Meng-Sheng, Huang, Ming-Ju, Watts, John D.
Julkaistu 2010

FeP(Im)–AB Bonding Energies Evaluated with A Large Number of Density Functionals (P = porphine, Im = imidazole, AB = CO, NO, and O(2))

Tekijä Liao, Meng-Sheng, Huang, Ming-Ju, Watts, John D.
Julkaistu 2011

Factors That Distort the Heme Structure in Heme-Nitric Oxide/OXygen-Binding (H-NOX) Protein Domains. A Theoretical Study

Tekijä Liao, Meng-Sheng, Huang, Ming-Ju, Watts, John D.
Julkaistu 2012

Effects of Local Protein Environment on the Binding of Diatomic Molecules to Heme in Myoglobins. DFT and Dispersion-Corrected DFT Studies

Tekijä Liao, Meng-Sheng, Huang, Ming-Ju, Watts, John D.
Julkaistu 2013

Binding of O(2) and NO to Heme in Heme-Nitric Oxide/OXygen-Binding (H-NOX) Proteins. A Theoretical Study

Tekijä Liao, Meng-Sheng, Huang, Ming-Ju, Watts, John D.
Julkaistu 2013