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Molnár Balázs J.; Dékány Attila Ádám; Czakó Gábor:
Automated potential energy surface development and quasi-classical dynamics for the F− + SiH3I system.
JOURNAL OF CHEMICAL PHYSICS, 161 (19).
ISSN 0021-9606
(2024)
Dékány Attila Ádám; Czakó Gábor:
Detailed quasiclassical dynamics of the F − + SiH 3 Cl multi-channel reaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 26 (13).
pp. 10008-10020.
ISSN 1463-9076
(2024)
Dékány Attila Ádám; Czakó Gábor:
Exploring the versatile reactivity of the F− + SiH3Cl system on a full-dimensional coupled-cluster potential energy surface.
JOURNAL OF CHEMICAL PHYSICS, 158 (22).
ISSN 0021-9606
(2023)
Dékány Attila Ádám; Czakó Gábor:
Benchmark ab initio proton affinity and gas‐phase basicity of α‐alanine based on coupled‐cluster theory and statistical mechanics.
JOURNAL OF COMPUTATIONAL CHEMISTRY, 43 (1).
pp. 19-28.
ISSN 0192-8651
(2022)
Dékány Attila Ádám; Kovács Gyula Z.; Czakó Gábor:
High-Level Systematic Ab Initio Comparison of Carbon- and Silicon-Centered SN2 Reactions.
JOURNAL OF PHYSICAL CHEMISTRY A, 125 (44).
pp. 9645-9657.
ISSN 1089-5639
(2021)
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