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Intermolecular interactions probed by rotational dynamics in gas-phase clusters
The rotational dynamics of a molecule is sensitive to neighboring atoms or molecules, which
can be used to probe the intermolecular interactions in the gas phase. Here, we real-time …
can be used to probe the intermolecular interactions in the gas phase. Here, we real-time …
Structures of N2Ar, O2Ar, and O2Xe dimers studied by Coulomb explosion imaging
We use intense femtosecond laser pulses to multiply ionize and directly image the structures
of N 2 Ar, O 2 Ar, and O 2 Xe dimers by coincidently measuring the momenta of the fragment …
of N 2 Ar, O 2 Ar, and O 2 Xe dimers by coincidently measuring the momenta of the fragment …
Computational chemistry study of 3D‐structure‐function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals …
R Concu, G Podda, E Uriarte… - Journal of …, 2009 - Wiley Online Library
In a significant work, Dobson and Doig (J Mol Biol 2003, 330, 771) illustrated protein
prediction as enzymatic or not from spatial structure without resorting to alignments. They …
prediction as enzymatic or not from spatial structure without resorting to alignments. They …
Accurate neural-network-based fitting of full-dimensional N2 –Ar and N2–CH4 two-body potential energy surfaces aimed at spectral simulations
AA Finenko - Molecular Physics, 2025 - Taylor & Francis
We describe the development of machine-learned (ML) potentials for flexible, weakly
interacting monomers. A recently suggested permutationally invariant polynomial neural …
interacting monomers. A recently suggested permutationally invariant polynomial neural …
[HTML][HTML] Communication: Determining the structure of the N2Ar van der Waals complex with laser-based channel-selected Coulomb explosion
C Wu, C Wu, D Song, H Su, X **e, M Li… - The Journal of …, 2014 - pubs.aip.org
We experimentally reconstructed the structure of the N 2 Ar van der Waals complex with the
technique of laser-based channel-selected Coulomb explosion imaging. The internuclear …
technique of laser-based channel-selected Coulomb explosion imaging. The internuclear …
Tunneling electron recaptured by an atomic ion or a molecular ion
X **e, C Wu, H Liu, M Li, Y Deng, Y Liu, Q Gong… - Physical Review A …, 2013 - APS
Dissociative ionization of N 2 Ar was experimentally studied in an intense femtosecond laser
field. The break of the weak van der Waals bond generates an argon atomic ion and a …
field. The break of the weak van der Waals bond generates an argon atomic ion and a …
Strong field multiple ionization as a route to electron dynamics in a van der Waals cluster
We study the order in which a strong laser field removes multiple electrons from a van der
Waals (vdW) cluster. The N 2 Ar, with an equilibrium T-shaped geometry, contains both a …
Waals (vdW) cluster. The N 2 Ar, with an equilibrium T-shaped geometry, contains both a …
New exchange-coulomb N2–Ar potential-energy surface and its comparison with other recent N2–Ar potential-energy surfaces
AK Dham, WJ Meath, JW Jechow… - The Journal of chemical …, 2006 - pubs.aip.org
The reliability of five N 2–Ar potential-energy surfaces in representing the N 2–Ar interaction
has been investigated by comparing their abilities to reproduce a variety of experimental …
has been investigated by comparing their abilities to reproduce a variety of experimental …
Periodic Dispersion-Corrected Approach for Isolation Spectroscopy of N2 in an Argon Environment: Clusters, Surfaces, and Matrices
Y Makina, K Mahjoubi, DM Benoit… - The Journal of …, 2017 - ACS Publications
Ab initio and Perdew, Burke, and Ernzerhof (PBE) density functional theory with dispersion
correction (PBE-D3) calculations are performed to study N2–Ar n (n≤ 3) complexes and N2 …
correction (PBE-D3) calculations are performed to study N2–Ar n (n≤ 3) complexes and N2 …
A study of Ar-N2 supercritical mixtures using neutron scattering, molecular dynamics simulations and quantum mechanical scattering calculations
The microscopic structure of Ar-N 2 supercritical mixtures was obtained using neutron
scattering experiments at temperatures between 128.4 and 154.1 K, pressures between …
scattering experiments at temperatures between 128.4 and 154.1 K, pressures between …