Theoretical Study of Stable Intermolecular Complexes of Furan with Hydrogen Halides

2004 ◽  
Vol 108 (51) ◽  
pp. 11375-11380 ◽  
Author(s):  
Dong-Mei Huang ◽  
Yi-Bo Wang ◽  
Lisa M. Visco ◽  
Fu-Ming Tao
Keyword(s):  
Theoretical Study ◽  
Hydrogen Halides ◽  
Intermolecular Complexes

Theoretical study of the addition of hydrogen halides to olefins: A comparison between (HCl)2and (HF)2additions to ethylene

1987 ◽  
Vol 8 (4) ◽  
pp. 481-488 ◽  
Author(s):  
Carmen Clavero ◽  
Miquel Duran ◽  
Agustí Lledós ◽  
Oscar N. Ventura ◽  
Juan Bertrán
Keyword(s):  
Theoretical Study ◽  
Hydrogen Halides

scholarly journals Theoretical Investigations of Vibrational – Rotational Energy of some Hydrogen Halide Molecules

2007 ◽  
Vol 4 (3) ◽  
pp. 468-474
Author(s):  
Baghdad Science Journal
Keyword(s):  
Multilevel Model ◽  
Theoretical Study ◽  
Rotational Quantum Number ◽  
Rotational Energy ◽  
Computational Investigation ◽  
Hydrogen Halides ◽  
Energy Characteristics ◽  
Deuterium Chloride ◽  
Theoretical Investigations ◽  
Deuterium Fluoride

A theoretical study by using computer model is presented to study the energy characteristics of the vibrational – rotational levels as a function of the vibrational and rotational quantum number, respectively. The calculations were based on the basis of a multilevel model taking into account the non-equilibrium population of the rotational levels. The computational investigation has been performed to examine the vibrational-rotational characteristics of some hydrogen halides chemical laser molecules. This program takes into account the various molecules of chemical lasers such as, Hydrogen Fluoride (HF), Deuterium Fluoride (DF), Hydrogen Chloride (HCl), and Deuterium Chloride (DCl). The practical difficulties associated with this type of lasers suggested that alternative route might be quite useful. Thus particular attention was paid to the development of computer program to investigate various energy characteristics. Comparison of the calculated results for different molecules shows that the highest values for the HF molecule probably due to their higher constants in comparison with the other molecules.

Intermolecular complexes of [B6H6]2− with nH2 (n = 1-8) molecules: a theoretical study

2018 ◽  
Vol 30 (3) ◽  
pp. 669-680 ◽  
Author(s):  
Ali Rahmani ◽  
Abedien Zabardasti ◽  
Ali Kakanejadifard
Keyword(s):  
Theoretical Study ◽  
Intermolecular Complexes

scholarly journals A theoretical study of X-H∙∙∙π and X∙∙∙π interactions in the complexes of furan, thiophene, pyrrole and hydrogen halides

2020 ◽  
Vol 58 (2) ◽  
pp. 151-156
Author(s):  
Do Thi Hong Le ◽  
Nguyen Ngoc Tri ◽  
Nguyen Thi Hong Man ◽  
Nguyen Tien Trung
Keyword(s):  
Theoretical Study ◽  
Hydrogen Halides ◽  
Π Interactions
Sign in / Sign up

Export Citation Format

Share Document