Ádám Kelemen PhD Student

Address: 1117, Budapest, Pázmány Péter sétány 1/A, HUNGARY

Room: 4.103.

Email:

Born At: June 10, 1996

Born In: Szeged

Facility Manager: Dr. Imre Jákli

Lab: Computational lab.

Publications

Ádám A. Kelemen , András Perczel , Imre Jákli
Quantum Computing Simulations Elucidate Active Spaces and Energetics of Amide Bond Detailing the Cis-TS-Trans Isomerization
International Journal of Quantum Chemistry 126(4): e70160 (2026) Kivonat
Ádám A. Kelemen , András Perczel , Dániel Horváth , Imre Jákli
Amide isomerization pathways: Electronic and structural background of protonation- and deprotonation-mediated cis-trans interconversions
J. Chem. Phys. 159 (15): 154301. | DOI: https://doi.org/10.1063/5.0165772 (2023) Kivonat