نتایج جستجو برای: vibrational levels

تعداد نتایج: 936873  

2018
Konstantinos S. Kalogerakis Daniel Matsiev Philip C. Cosby James A. Dodd Stefano Falcinelli Jonas Hedin Alexander A. Kutepov Stefan Noll Peter A. Panka Constantin Romanescu Jérôme E. Thiebaud

The question of whether mesospheric OH(υ) rotational population distributions are in equilibrium with the local kinetic temperature has been debated over several decades. Despite several indications for the existence of non-equilibrium effects, the general consensus has been that emissions originating from low rotational levels are thermalized. Sky spectra simultaneously observing several vibra...

Journal: :The Journal of chemical physics 2012
Anindita Bhattacharjee Krishna Rai Dastidar

We have shown that electromagnetically induced transparency can be achieved by control-probe interferometry using two delayed phase-locked ultrashort pulses. Two vibrational wavepackets on the excited state, excited by two delayed phase-locked ultrashort pulses, interfere constructively or destructively leading to enhancement or suppression of absorption to a selective set of vibrational levels...

2010
Viatcheslav Kokoouline Alexandre Faure Jonathan Tennyson Chris H. Greene

We present theoretical thermally averaged rate constants for vibrational and rotational (de-)excitation of the H3 ion by electron impact. The constants are calculated using the multichannel quantum-defect approach. The calculation includes processes that involve a change | J | ≤ 2 in the rotational angular momentum J of H3 . The rate constants are calculated for states with J ≤ 5 for rotational...

Journal: :Physical chemistry chemical physics : PCCP 2011
Péter G Szalay Filip Holka Julien Fremont Michael Rey Kirk A Peterson Vladimir G Tyuterev

The aim of the study was to explore the limits of ab initio methods towards the description of excited vibrational levels up to the dissociation limit for molecules having more than two electrons. To this end a high level ab initio potential energy function was constructed for the four-electron LiH molecule in order to accurately predict a complete set of bound vibrational levels corresponding ...

Journal: :journal of physical & theoretical chemistry 2010
s. shojaee f. naderi h. yamoula m. monajjemi

we optimized the geometries of the graphene and graphene with hydrogen using pw91vwn, pwcipl,mpwlyp, g96lyp, g96141.0-210.6-310, 6-31g*ievels of theory and compared our results with each other.we present the most important structural parameters determined for the addition of a hydrogen atom tographene and the outward movement of the carbon atom that is bonded to hydrogen is 0.48 a also wecalcul...

Journal: :Chemical communications 2009
Frederic De Montigny Laure Guy Guillaume Pilet Nicolas Vanthuyne Christian Roussel Rosina Lombardi Teresa B Freedman Laurence A Nafie Jeanne Crassous

Enantioenriched square-pyramidal oxo- and sulfidorhenium(v) complexes have been prepared and their stereochemistry studied by vibrational circular dichroism (VCD) spectroscopy.

Journal: :The Journal of chemical physics 2004
H J Bakker

A modified Landau-Teller equation for vibrational relaxation in the condensed phase is proposed. This equation differs from previous approaches by accounting for the fluctuations of the energies of the vibrational levels that result from the interactions with the surroundings (bath). In the conventional approach the effects of the bath are only included in the coupling between the relaxing and ...

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