A high-resolution electron momentum spectroscopy and density functional theory study into the complete valence electronic structure of allene. - Feng Wang 005; H. Mackenzie-Ross; David A. Winkler; Ian E. McCarthy; Laurence Campbell; Michael J. Brunger (J. Comput. Chem., 2001)

Conformational Processes in L-Alanine Studied Using Dual Space Analysis. - Chantal T. Falzon; Feng Wang 005 (International Conference on Computational Science (3), 2006)

Prediction of spectroscopic constants for diatomic molecules in the ground and excited states using time-dependent density functional theory. - Chantal T. Falzon; Delano P. Chong; Feng Wang 005 (J. Comput. Chem., 2006)

Outer valence orbital response to proton positions in prototropic tautomers of adenine. - Saumitra Saha; Feng Wang 005; Célia Fonseca Guerra; Friedrich Matthias Bickelhaupt (J. Comput. Methods Sci. Eng., 2006)

Intramolecular interactions of L-phenylalanine: Valence ionization spectra and orbital momentum distributions of its fragment molecules. - Aravindhan Ganesan; Feng Wang 005; Chantal T. Falzon (J. Comput. Chem., 2011)

Methylation of zebularine investigated using density functional theory calculations. - Lalitha Selvam; Fang-Fang Chen; Feng Wang 005 (J. Comput. Chem., 2011)

In silico strategy to model LMP1 of Epstein-Barr virus protein. - Dayang-Sharyati D. A. Salam; Siaw San Hwang; Feng Wang 005; Bee Theng Lau; Xavier Chee Wezen (BIBM, 2023)

In silico tuning of binding selectivity for new SARS-CoV-2 main protease inhibitors. - Feng Wang 005; Vladislav Vasilyev (Comput. Methods Programs Biomed., 2025)