Nacsa András Bence; Tokaji Csenge; Czakó Gábor:
High-level analytical potential-energy-surface-based dynamics of the OH- + CH3CH2Cl SN2 and E2 reactions in full (24) dimensions.
FARADAY DISCUSSIONS, 251.
pp. 604-621.
ISSN 1359-6640
(2024)
Nacsa András Bence; Tajti Viktor; Czakó Gábor:
Dynamics of the Cl− + CH3I reaction on a high-level ab initio analytical potential energy surface.
JOURNAL OF CHEMICAL PHYSICS, 158 (19).
ISSN 0021-9606
(2023)
Nacsa András Bence; Kigyosi Mate; Czakó Gábor:
Protonation of serine: conformers, proton affinities and gas-phase basicities at the "gold standard" and beyond.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25 (12).
pp. 8891-8902.
ISSN 1463-9076
(2023)
Gstir Thomas; Michaelsen Tim; Long Bryan A.; Nacsa András Bence; Ayasli Atilay; Swaraj Dasarath; Zappa Fabio; Trummer Florian; Ard Shaun G.; Shuman Nicholas S.; Czakó Gábor; Viggiano Albert A.; Wester Roland:
The influence of fluorination on the dynamics of the F − + CH 3 CH 2 I reaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25 (28).
pp. 18711-18719.
ISSN 1463-9076
(2023)
Nacsa András Bence; Czakó Gábor:
Benchmark Ab Initio Determination of the Conformers, Proton Affinities, and Gas-Phase Basicities of Cysteine.
JOURNAL OF PHYSICAL CHEMISTRY A, 126 (51).
pp. 9667-9679.
ISSN 1089-5639
(2022)
Nacsa András Bence; Czakó Gábor:
Benchmark ab initio proton affinity of glycine.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 23 (16).
pp. 9663-9671.
ISSN 1463-9076
(2021)
Orján Erik Márk; Nacsa András Bence; Czakó Gábor:
Conformers of dehydrogenated glycine isomers.
JOURNAL OF COMPUTATIONAL CHEMISTRY, 41 (22).
pp. 2001-2014.
ISSN 0192-8651
(2020)