Attila Tajti

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 16

Top Topics

Capillary Electrophoresis

Diffusion Weighted

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

Journal of computational chemistry

The journal of physical chemistry letters

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

Publications

Dávid P Jelenfi, Attila Tajti, Péter G Szalay
Interpretation of molecular electron transport in ab initio many-electron framework incorporating zero-point nuclear motion effects. Journal of computational chemistry (2024)
Dávid P Jelenfi, Attila Tajti, Péter G Szalay
Interpretation of molecular electron transport in ab initio many-electron framework incorporating zero-point nuclear motion effects. Journal of computational chemistry 45 (23) (2024)
Ahmed Shaalan Alag, Péter G Szalay, Attila Tajti
Ab initio investigation of excited state charge transfer pathways in differently capped bithiophene cages. Journal of computational chemistry 45 (14) (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 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)
Ahmed Shaalan Alag, Péter G Szalay, Attila Tajti
Ab initio investigation of excited state charge transfer pathways in differently capped bithiophene cages. Journal of computational chemistry (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)
Ahmed Shaalan Alag, Dávid P Jelenfi, Attila Tajti, Péter G Szalay
Accurate Prediction of Vertical Ionization Potentials and Electron Affinities from Spin-Component Scaled CC2 and ADC(2) Models. Journal of chemical theory and computation 18 (11) (2022)
Attila Tajti, Balázs Kozma, Péter G Szalay
Improved Description of Charge-Transfer Potential Energy Surfaces via Spin-Component-Scaled CC2 and ADC(2) Methods. Journal of chemical theory and computation 17 (1) (2020)
Balázs Kozma, Attila Tajti, Baptiste Demoulin, Robert Izsak, Marcel Nooijen, Péter G Szalay
A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods. Journal of chemical theory and computation 16 (7) (2020)
Attila Tajti, Péter G Szalay
Accuracy of Spin-Component-Scaled CC2 Excitation Energies and Potential Energy Surfaces. Journal of chemical theory and computation 15 (10) (2019)
Attila Tajti, Levente Tulipán, Péter G Szalay
Accuracy of Spin-Component Scaled ADC(2) Excitation Energies and Potential Energy Surfaces. Journal of chemical theory and computation 16 (1) (2019)
Attila Tajti, John F Stanton, Devin A Matthews, Péter G Szalay
Accuracy of Coupled Cluster Excited State Potential Energy Surfaces. Journal of chemical theory and computation 14 (11) (2018)
Attila Tajti, György Lendvay, Péter G Szalay
Dimol Emission of Oxygen Made Possible by Repulsive Interaction. The journal of physical chemistry letters 8 (14) (2017)
Dániel Kánnár, Attila Tajti, Péter G Szalay
Accuracy of Coupled Cluster Excitation Energies in Diffuse Basis Sets. Journal of chemical theory and computation 13 (1) (2016)