On extracting subfemtosecond data from femtosecond quantum dynamics calculations: the methane cation

T Mondal, AJC Varandas - Journal of chemical theory and …, 2014 - ACS Publications
Motivated by recent measurements of the subfemtosecond structural rearrangement in the
methane cation using high-harmonic generation technology, here, we attempt an ab initio …

Structural evolution of the methane cation in subfemtosecond photodynamics

T Mondal, AJC Varandas - The Journal of Chemical Physics, 2015 - pubs.aip.org
An ab initio quantum dynamics study has been performed to explore the structural
rearrangement of ground state CH 4+ in subfemtosecond resolved photodynamics. The …

On the rearrangement and dissociation mechanism of SiH4+ in its triply-degenerate ground state

T Mondal, AJC Varandas - The Journal of Chemical Physics, 2024 - pubs.aip.org
An ab initio molecular orbital study has been performed to explore the structural
rearrangement and dissociation of SiH 4+ radical cation at the X ̃ 2 T 2 ground electronic …

The Attosecond Electron Dynamics of Charge Migration and Charge Transfer: Opening the Door to Attochemistry

DT Matselyukh - 2023 - research-collection.ethz.ch
The field of attochemistry is concerned with the few-and subfemtosecond electronic
dynamics of molecules and their interactions with the motion of the nuclei. Resolving these …

Size Effects on Cation Heats of Formation. III. Methyl and Ethyl Substitutions in Group IV XH4, X = C, Si, Ge, Sn, Pb

S Leach - The Journal of Physical Chemistry A, 2014 - ACS Publications
The heats of formation of alkyl-substituted XH4 (X= C, Si, Ge, Sn, Pb) molecular ions have
often never been measured or are not known to better than 10 or 20 kJ/mol. The present …