𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A cage effect in collision-induced light absorption from a molecular dynamics calculation

✍ Scribed by J.Courtenay Lewis; J.A. Tjon


Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
340 KB
Volume
29
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Collision-induced energy transfer in p-d
✍ Huadong Gai; Donald L. Thompson πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 372 KB

The collisional excitation and relaxation of para-difluorobenzene (p-DFB) by light atoms have been studied by a wave-packet scattering method. In our model the light atom is represented by a two-dimensional wave packet and the vibrations of p-DFB molecule are treated classically. We found that the V

Acceleration effects in slow ion–atom co
✍ B. Thorndyke; D. A. Micha; K. Runge πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 263 KB

Slow ion᎐atom collisions can be described within a first-principles molecular dynamics based on eikonal wave functions for the nuclei and the time-Ž . dependent Hartree᎐Fock TDHF approximation for electrons that self-consistently couples the electronic and nuclear degrees of freedom. By expanding th

Is an exponential spectral shape a crite
✍ C.H. Wang; R.B. Wright πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 529 KB

This communication points out that an exponential spectial shape unnot be considered as a aiterion for coLI.ision induced scattering. Detailed temperature study of the spectral profk is needed for elucidating the mechanism. Scattering from liquid glycerol (297-440Β°K) is used as an illustration.

Correction method for a concentration ef
✍ Sadao Mori πŸ“‚ Article πŸ“… 1976 πŸ› John Wiley and Sons 🌐 English βš– 459 KB πŸ‘ 2 views

In the calculation of molecular weight averages by GPC, the traditional method uses the calibration curve obtained at the same concentration as the samples, which results in a large degree of disagreement between molecular weight averages at several concentrations. Because of the concentration depen

Solvent Effect on the NMR Chemical Shiel
✍ Dr. Vladimir G. Malkin; Dr. Olga L. Malkina; Dr. Gerold Steinebrunner; Dr. Hansp πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 699 KB

The solvent effect on the NMR chemical shielding in liquid water is calculated from a combination of molecular dynamics simulations and quantum chemical calculations for protons and 1 7 0 . The simulations are performed with three different potentials, ab initio as well as empirical ones, to study t

Effect of lithium cationization on oxyge
✍ K. P. Madhusudanan; L. K. Bajpai; A. P. Bhaduri πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 99 KB πŸ‘ 2 views

Fast-atom bombardment mass spectra of Ξ²-nitrostyrene derivatives give rise to abundant M + β€’ and [M + H] + ions and exhibit a fragmentation pattern attributable to the presence of a nitro group. Collision-induced decomposition (CID) of their [M + H] + ions reveals an additional fragmentation involvi