Ádám B Szirmai

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 4

Top Topics

Electron Transfer

Magnetic Resonance

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

Journal of computational chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Ádám B Szirmai, Bence Hégely, Attila Tajti, Mihály Kállay, Péter G Szalay
Projected Atomic Orbitals As Optimal Virtual Space for Excited State Projection-Based Embedding Calculations. Journal of chemical theory and computation 20 (9) (2024)
Ádám B Szirmai, Bence Hégely, Attila Tajti, Mihály Kállay, Péter G Szalay
Projected Atomic Orbitals As Optimal Virtual Space for Excited State Projection-Based Embedding Calculations. Journal of chemical theory and computation (2024)
Bónis Barcza, Ádám B Szirmai, Attila Tajti, John F Stanton, Péter G Szalay
Benchmarking Aspects of Ab Initio Fragment Models for Accurate Excimer Potential Energy Surfaces. Journal of chemical theory and computation (2023)
Bónis Barcza, Ádám B Szirmai, Judit Katalin Szántó, Attila Tajti, Péter G Szalay
Comparison of approximate intermolecular potentials for ab initio fragment calculations on medium sized N-heterocycles. Journal of computational chemistry 43 (16) (2022)