Results 91 to 100 of about 5,819 (230)
Correlation of polarizability, hardness, and electronegativity: polyatomic molecules
, 1994 In this paper, for the first time we have correlated the hardness (η), softness (s), and polarizability (P) with the electronegativity and the distortion (ΔR) of a single bond in a complex polyatomic system.
Pal, Sourav +2 more
core +1 more source
Second Virial Coefficients for Nonspherical Molecules and Their Experimental Measurements [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 1991 The virial coefficients can be obtained from statistical mechanics in connection with the intermolecular potentials. The intermolecular potential of polyatomic molecules is usually assumed to consist of a spherically symmetric component plus a ...
A. Boushehri, S.H. Moosavipour
doaj
The process of fitting potential energy surfaces using machine learning methods typically involves manually constructing feature vectors and transforming molecular graphs into the inputs of networks for the polyatomic molecule structure.
Longchao, Da +4 more
core +1 more source
Determination of CaOH and CaOCH3 vibrational branching ratios for direct laser cooling and trapping
New Journal of Physics, 2019 Alkaline earth monoalkoxide free radicals (MORs) have molecular properties conducive to direct laser cooling to sub-millikelvin temperatures. Using dispersed laser induced fluorescence measurements from a pulsed supersonic molecular beam source we ...
Ivan Kozyryev +4 more
doaj +1 more source
Picosencond lifetimes and efficient decay channels of vibrational modes of polyatomic molecules in liquids [PDF]
, 1982 Eisenthal, K. B. +5 more
core +1 more source
On the fragmentation of furan molecule and its dependence on the laser wavelength
, 2008 The fragmentation processes of the aromatic conjugated diene systems have been studied by many research groups [1–10]. Derrick et al. [1], have studied the electronic structure using photoelectron spectroscopy, where a number of highly excited Rydberg ...
Ridley, T. +3 more
core
Adsorption Dynamics of Polyatomic Molecules on Planar Surfaces
, 2017 This is a comparative study of the adsorption dynamics of increasingly longer polyatomic molecules on a planar surface. We perform kinetic Monte Carlo simulations of the gas uptake to identify the molecular mechanisms and parameters that govern the ...
Calbi, M. Mercedes, Burde, Jared T.
core
Realizing unconventional quantum magnetism with symmetric top molecules
New Journal of Physics, 2015 We demonstrate that ultracold symmetric top molecules loaded into an optical lattice can realize highly tunable and unconventional models of quantum magnetism, such as an XYZ Heisenberg spin model.
M L Wall, K Maeda, Lincoln D Carr
doaj +1 more source
FAST REACTIONS BETWEEN DIATOMIC AND POLYATOMIC-MOLECULES
, 1992 Calculations of rate constants are presented for fast neutral reactions between polar diatomic and polyatomic molecules. The method applies the infinite-order sudden approximation to treat the rotations of the diatomic molecule and a rotationally ...
STOECKLIN, T, CLARY, D
core +1 more source
Forces Between Polyatomic Molecules [PDF]
Proceedings of the National Academy of Sciences, 1947 openaire +3 more sources