Systematics of band-spectral constants. Part VI. Interrelation of equilibrium bond constant and internuclear distance

1941 ◽  
Vol 37 ◽  
pp. 293 ◽  
Author(s):  
C. H. Douglas Clark ◽  
K. R. Webb
Keyword(s):  
Internuclear Distance ◽  
Bond Constant

Ultrafast Control of the Internuclear Distance with Parabolic Chirped Pulses

2011 ◽  
Vol 116 (11) ◽  
pp. 2691-2697 ◽  
Author(s):  
Bo Y. Chang ◽  
Seokmin Shin ◽  
Jesus Santamaria ◽  
Ignacio R. Sola
Keyword(s):  
Internuclear Distance ◽  
Chirped Pulses

Theoretical study with rovibrational and electronic transitionmoment calculation of the ion LiCs+

2006 ◽  
Vol 84 (11) ◽  
pp. 959-971 ◽  
Author(s):  
M Korek ◽  
A M Moghrabi ◽  
A R Allouche ◽  
M Aubert Frécon
Keyword(s):  
Internuclear Distance ◽  
Bound States ◽  
Dipole Moments ◽  
Basis Sets ◽  
Spectroscopic Constants ◽  
Gaussian Basis Sets ◽  
Transition Dipole ◽  
Vibrational Levels ◽  
Moment Functions ◽  
Dependent Polarization

For the molecular ion LiCs+ the potential energy are calculated for the 39 lowest molecular states of symmetries 2Σ+, 2Π, 2Δ, and Ω = 1/2, 3/2, 5/2. Using an ab initio method, the calculation is based on nonempirical pseudopotentials and parameterized [Formula: see text]-dependent polarization potentials. Gaussian basis sets are used for both atoms and spin-orbit effects are taken into account. The spectroscopic constants for 20 states are calculated by fitting the calculated energy values to a polynomial in terms of the internuclear distance r. Through the canonical functions approach, the eigenvalue Ev, the abscissas of the corresponding turning points (rmin and rmax), and the rotational constants Bv are calculated for up to 44 vibrational levels for four bound states. Using the same approach the dipole moment functions, the corresponding matrix elements, and the transition dipole moments are calculated for the bound states (1)2Σ+, (2)2Σ+, and (1)2Π. The comparison of the present results with those available in literature for the ground state shows a very good agreement. Extensive tables of energy values versus internuclear distance are displayed at the following address: http://lasim.univ-lyon1.fr/allouche/licsso.html.PACS Nos.: 31.15.Ar, 31.25.–v, 31.25.Nj

scholarly journals Investigation of Magneto Hydro-Dynamics Effects on a Polymer Chain Transfer in Micro-Channel Using Dissipative Particle Dynamics Method

Symmetry ◽  
2020 ◽  
Vol 12 (3) ◽  
pp. 397 ◽  
Author(s):  
Ramin Zakeri ◽  
Moslem Sabouri ◽  
Akbar Maleki ◽  
Zahra Abdelmalek
Keyword(s):  
Polymer Chain ◽  
Dissipative Particle Dynamics ◽  
Mhd Flow ◽  
Particle Dynamics ◽  
Dynamics Simulation ◽  
Radius Of Gyration ◽  
Micro Channel ◽  
Effective Parameters ◽  
The Difference ◽  
Bond Constant

In this paper, the effect of Magneto Hydro-Dynamics (MHD) on a polymer chain in the micro channel is studied by employing the Dissipative Particle Dynamics simulation (DPD) method. First, in a simple symmetric micro-channel, the results are evaluated and validated for different values of Hartmann (Ha) Number. The difference between the simulation and analytical solution is below 10%. Then, two types of polymer chain including short and long polymer chain are examined in the channel and the effective parameters such as Ha number, the harmony bond coefficient or spring constant (K), and the length of the polymer chain (N) are studied in the MHD flow. It is shown that by increasing harmony bond constant to 10 times with Ha = 20, the reduction of about 80% in radius of gyration squared, and half in polymer length compared to Ha = 1 would occur for both test cases. For short and long length of polymer, proper transfer of a polymer chain through MHD particles flow is observed with less perturbations (80%) and faster polymer transfer in the symmetric micro-channel.

scholarly journals Rotational resonance NMR of -labelled retinal: quantitative internuclear distance determination

1999 ◽  
Vol 14 (2) ◽  
pp. 81-90 ◽  
Author(s):  
X Feng ◽  
P.J.E Verdegem ◽  
Y.K Lee ◽  
M Helmle ◽  
S.C Shekar ◽  
...  
Keyword(s):  
Internuclear Distance ◽  
Distance Determination ◽  
Rotational Resonance

INFRARED SPECTRA OF NaF AND KF

1964 ◽  
Vol 42 (1) ◽  
pp. 43-52 ◽  
Author(s):  
R. K. Ritchie ◽  
H. Lew
Keyword(s):  
Infrared Spectra ◽  
Internuclear Distance ◽  
Molecular Beam ◽  
Rotational Constant ◽  
Vibrational Frequencies ◽  
Vibrational Constants

The vibrational constants of NaF and KF, derived from their infrared spectra, are:[Formula: see text]The vibrational frequencies of RbF and CsF, obtained by extrapolation, are:[Formula: see text]The rotational constant Be and the internuclear distance of KF, previously obtained by molecular beam methods, have been revised slightly as a consequence of the new data.

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