The attochemistry of chemical bonding
Traditionally, over the last century, approaches used to elucidate the 'static'and the
'dynamic'nature of chemical bonding have been fundamentally different. The 'static'nature of …
'dynamic'nature of chemical bonding have been fundamentally different. The 'static'nature of …
Attochemistry of ionized halogen, chalcogen, pnicogen, and tetrel noncovalent bonded clusters
S Chandra, A Bhattacharya - The Journal of Physical Chemistry A, 2016 - ACS Publications
In general, charge migration can occur via pure electron–electron correlation and relaxation
or via coupling with nuclear motion. We must understand both aspects of charge migration …
or via coupling with nuclear motion. We must understand both aspects of charge migration …
Experimental evidence of sensitivity of the high harmonic generation to hydrogen bonding
The influence of hydrogen bonding and the associated attosecond hole delocalization on
the high-order harmonic generation (HHG) process is investigated with the help of hydrogen …
the high-order harmonic generation (HHG) process is investigated with the help of hydrogen …
Attochemistry of hydrogen bonded amide and thioamide model complexes in protein following vertical ionization
Hydrogen bond in protein structure is a dynamic topic in research community. 2-Pyridone
attached to amide forms hydrogen bond in the protein structure. Instead of amide, a number …
attached to amide forms hydrogen bond in the protein structure. Instead of amide, a number …
Molecular attochemistry in non-polar liquid environments: ultrafast charge migration dynamics through gold–thiolate and gold–selenolate linkages
Molecular attosecond science has already started contributing to our fundamental
understanding of ultrafast purely electron dynamics in isolated molecules under vacuum …
understanding of ultrafast purely electron dynamics in isolated molecules under vacuum …
Exploring intra-and intermolecular interactions between non-covalently bound species through investigations of clusters: past, present, and future
ER Bernstein, A Bhattacharya - Intra-and Intermolecular Interactions …, 2021 - Elsevier
The now well-established area of femtosecond dynamics (so-called femtochemistry)
accesses the motion of nuclei: this nuclear rearrangement is the later development of …
accesses the motion of nuclei: this nuclear rearrangement is the later development of …
Is there theoretical evidence for mutual influence between halogen and pnicogen-hydride bonds? An ab initio study
Abstract Ab initio MP2/6-311++ G (d, p) level calculations have been carried out to
investigate the interplay between the halogen and pnicogen-hydride bonds in NCX⋯ OPH …
investigate the interplay between the halogen and pnicogen-hydride bonds in NCX⋯ OPH …
Ultrafast Charge Transfer and Structural Dynamics Following Outer-Valence Ionization of a Halogen-Bonded Dimer
S Bazzi, R Santra - The Journal of Physical Chemistry A, 2019 - ACS Publications
We study the temporal evolution of the CH2O··· ClF halogen-bonded dimer following vertical
ionization out of outer-valence molecular orbitals on a femtosecond time scale, employing …
ionization out of outer-valence molecular orbitals on a femtosecond time scale, employing …
Ab initio radiation chemistry
S Bazzi - 2019 - ediss.sub.uni-hamburg.de
The development of tools and techniques such as free-electron lasers (FELs) and pump-
probe experiments has advanced the field of femtochemistry and made it possible to follow …
probe experiments has advanced the field of femtochemistry and made it possible to follow …
Theoretical investigation of methanol formation from methane water-ice cluster following ionization
S Chandra - Molecular Astrophysics, 2019 - Elsevier
In this article, I have presented quantum mechanical treatment of methanol formation
reaction from methane water-ice cluster after ionization with high energy photons. To mimic …
reaction from methane water-ice cluster after ionization with high energy photons. To mimic …