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 …
Direct methods for non-adiabatic dynamics: connecting the single-set variational multi-configuration Gaussian (vMCG) and Ehrenfest perspectives
In this article, we outline the current state-of-the-art “on-the-fly” methods for non-adiabatic
dynamics, highlighting the similarities and differences between them. We derive the …
dynamics, highlighting the similarities and differences between them. We derive the …
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 …
On the ultrafast charge migration dynamics in isolated ionized halogen, chalcogen, pnicogen, and tetrel bonded clusters
Here we demonstrate, compare and contrast relaxation-and correlation-driven charge
migration dynamics in halogen, chalcogen, pnicogen and tetrel bonded clusters, following …
migration dynamics in halogen, chalcogen, pnicogen and tetrel bonded clusters, following …
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 …
On the Attosecond charge migration in Cl…..N, Cl…..O, Br…..N and Br…..O Halogen-bonded clusters: Effect of donor, acceptor, vibration, rotation, and electron …
The electron-electron relaxation and correlation-driven charge migration process, which
features pure electronic aspect of ultrafast charge migration phenomenon, occurs on a very …
features pure electronic aspect of ultrafast charge migration phenomenon, occurs on a very …
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 …
Computational studies on ground and excited state charge transfer properties of peptidomimetics
S Joy, VV Sureshbabu, G Periyasamy - Faraday Discussions, 2018 - pubs.rsc.org
Chemical modifications at various peptide positions result in peptidomimetics with unique
physical and chemical properties that can be used for a range of applications. Among many …
physical and chemical properties that can be used for a range of applications. Among many …
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 …