Ádám B Szirmai

Comparison of approximate intermolecular potentials for ab initio fragment calculations on medium sized N-heterocycles.

P. Szalay, A. Tajti, B. Barcza, 2022, Journal of computational chemistry.

Comparison of approximate intermolecular potentials for ab initio fragment calculations on medium sized N‐heterocycles

P. Szalay, K. Szántó, A. Tajti, 2021, J. Comput. Chem..

Performance of Multilevel Methods for Excited States

Mihály Kállay, P. Szalay, Ádám B Szirmai, 2022, The journal of physical chemistry. A.

Benchmarking Aspects of Ab Initio Fragment Models for Accurate Excimer Potential Energy Surfaces

J. Stanton, P. Szalay, B. Barcza, 2023, Journal of chemical theory and computation.