An Ab Initio Study of the Complexes Formed by the Positive Acetylene Ion with the Hydrogen and Nitrogen Molecules and the Argon Atom
β Scribed by Anne-Marie Sapse; Christine Pinto; Duli C. Jain
- Book ID
- 110272496
- Publisher
- Springer
- Year
- 2000
- Tongue
- English
- Weight
- 110 KB
- Volume
- 11
- Category
- Article
- ISSN
- 1040-7278
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π SIMILAR VOLUMES
The results of experimental studies and quantum mechanical calculations of vibrational spectra and structure of hydrogen bonded complexes formed by pyrazole (P) and 3,5-dimethylpyrazole (DMP) are presented. IR spectra of pyrazoles in solutions, gas phase, and solid state have been investigated in wi
In the present work, ab initio molecular orbital theory has been used to examine the reaction of atomic fluorine and chlorine with trifluoroacetaldehyde CFsC(O)H. Equilibrium geometries and transition state structures have been fully optimized at the unrestricted second-order Meller-Plesset (UMP2/6-