Theoretical and Computational Chemistry City University of Hong Kong
Our Recent Research Works
Physical Chemistry Chemical Physics (2018)
Tropospheric reaction of CO3•- with HNO3
Analytical Chemistry (2018)
Chiral differentiation of Naproxen through collision-induced dissociation of Cu(II) complex
The Chemical Record (2018)
Tautomerization and dissociation of molecular peptide radical cations
Journal of Physical Chemistry A (2017)
Tropospheric reaction of CO3•- with HCl
Physical Chemistry Chemical Physics (2016)
Charge transfer reactions between gas-phase hydrated electrons, molecular oxygen and carbon dioxide
Chemistry - A European Journal (2016)
Electron catalysed combustion of formic acid with ozone
Canadian Journal of Chemistry (2015)
Selective β-radical induced dissociation of N-Cα and Cα-C bonds along a peptide backbone
Journal of Physical Chemistry A (2015)
Theoretical studies about the reduction of oxygen, carbon dioxide, and acetonitrile by Mg(II)/Mg(I) water cluster
International Journal of Mass Spectrometry (2015)
Collision-induced dissociation of CO2 loss from aspartic acid side chain of tripeptide [DGR]•+ suggest the existence of α-radical peptide cation
International Journal of Mass Spectrom (2019)
N-terminal Cα-Cβ bond cleavage in Tyrosine-containing peptide. Dissociative electron transfer
Chemistry – A European Journal (2019)
Physical properties of hydrated carbon dioxide radical anions CO2(H2O)n●‒ from gas phase to bulk solution
Physical Chemistry Chemical Physics, 2018
Tropospheric reaction of CO3•- with HNO3
Analytical Chemistry, 2018
Chiral differentiation of Naproxen through collision-induced dissociation of Cu(II) complex
The Chemical Record, 2018
Tautomerization and dissociation of molecular peptide radical cations
Journal of Physical Chemistry A, 2017
Tropospheric reaction of CO3•- with HCl
Physical Chemistry Chemical Physics, 2016
Charge transfer reactions between gas-phase hydrated electrons, molecular oxygen and carbon dioxide
Chemistry - A European Journal, 2016
Electron catalysed combustion of formic acid with ozone
Canadian Journal of Chemistry, 2015
Selective β-radical induced dissociation of N-Cα and Cα-C bonds along a peptide backbone
Journal of Physical Chemistry A, 2015
Theoretical studies about the reduction of oxygen, carbon dioxide, and acetonitrile by Mg(II)/Mg(I) water cluster
International Journal of Mass Spectrometry, 2015
Collision-induced dissociation of CO2 loss from aspartic acid side chain of tripeptide [DGR]•+ suggest the existence of α-radical peptide cation
International Journal of Mass Spectrom, 2019
N-terminal Cα-Cβ bond cleavage in Tyrosine-containing peptide. Dissociative electron transfer
Chemistry – A European Journal, 2019
Physical properties of hydrated carbon dioxide radical anions CO2(H2O)n●‒ from gas phase to bulk solution
News
2019
Congratulation to Zachary who won the prestige Hong Kong PhD Fellowship. Welcome!
Vincy has joint our group for her MSc Dissertation. Welcome!
We had successfully hosted the 10th International Conference of the Asian Consortium on Computational Materials Science (ACCMS-10) at CityU in July 2019 with over 200 participants from 22 different countries/regions
We thank Kevin, Shiau Wei, Gigi and Ruby (BSc Chemistry students) for their great assistance in organizing the ACCMS-10
Alfred received the Best Contributed Talk Award at the 10th International Conference of the Asian Consortium on Computational Materials Science (ACCMS-10). Great jobs!
Ephrem has published his first paper as a PhD candidate in our group.
Ephrem was financially supported by CityU to attend the ICAMM International Conference on Advanced Materials Modeling in France in July 2019.
Alfred was financially supported by CityU to attend the 2019 International Conference for Young Chemists (ICYC2019) in Malaysia in August 2019.
2018
Congratulations to Ephrem Gizachew for successfully winning the Hong Kong PhD Fellowship. Welcome Ephrem!
We are glad that Dr. Alfred Tang won the HKSMS Conference Awards 2018, Great Job!
MC Chau has successfully turned his undergraduate final-year project into an excellent article in Analytical Chemistry about chiral differentiation of Naproxen drug molecules by collision-induced dissociation of Cu(II) complex, WELL DONE!
→Access to full article
Congratulations to Dr Alfred Tang for his 3rd paper on the Troposphere Chemistry of CO3•- (out of his total 9 papers published with Andy Siu's group since 2012)
→Access to full article
2017
Hayden Thompson, Third Year Undergraduate of MChem with Study Year Abroad from University of Bath, UK, had a great time in Hefei, China during the USTC-CityU Academic Exchange Programme on Environmental Sciences in December 2017.
MC Chau has fulfilled all the requirements prescribed by university and obtained his undergraduate degree. Congratulations!
Congratulations to Alfred Tang for his PhD graduation. His hard works and efforts eventually paid off with outstanding academic achievements.
Joint-group BBQ session at Whitehead, Ma On Shan
Alfred Tang has presented his interesting theoretical studies on reaction of atmospheric CO3•- during HKSMS Symposium 2017.
2016
Congratulations to Alfred Tang for having a precious opportunity to conduct his research in University of Innsbruck, Austria which supported by Research Activities Fund from School of Graduate Studies.