Benchmark ab initio characterization of the complex potential energy surfaces of the HOO− + CH3Y [Y = F, Cl, Br, I] reactions DOI Creative Commons
Domonkos A. Tasi, Gábor Czakó

Physical Chemistry Chemical Physics, Journal Year: 2024, Volume and Issue: 26(22), P. 16048 - 16059

Published: Jan. 1, 2024

The α-effect is a well-known phenomenon in organic chemistry, and related to the enhanced reactivity of nucleophiles involving one or more lone-pair electrons adjacent nucleophilic center. gas-phase bimolecular substitution (S

Language: Английский

Metal–ring interactions in group 2 ansa-metallocenes: assessed with the local vibrational mode theory DOI
Juliana J. Antonio, Elfi Kraka

Physical Chemistry Chemical Physics, Journal Year: 2024, Volume and Issue: 26(21), P. 15143 - 15155

Published: Jan. 1, 2024

An exploration of group two ansa -metallocenes for solvent effects, interannular bridges, and quantitative bond strength through local mode analysis.

Language: Английский

Citations

1
Benchmark ab initio characterization of the complex potential energy surfaces of the HOO− + CH3Y [Y = F, Cl, Br, I] reactions DOI Creative Commons
Domonkos A. Tasi, Gábor Czakó

Physical Chemistry Chemical Physics, Journal Year: 2024, Volume and Issue: 26(22), P. 16048 - 16059

Published: Jan. 1, 2024

The α-effect is a well-known phenomenon in organic chemistry, and related to the enhanced reactivity of nucleophiles involving one or more lone-pair electrons adjacent nucleophilic center. gas-phase bimolecular substitution (S

Language: Английский

Citations

1